data_2dvh_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 2dvh _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 ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.38 -46.37 13.15 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.657 0.783 . . . . 0.0 112.107 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.778 0.431 . . . . 0.0 111.289 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.55 -44.05 79.2 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -50.66 -40.68 54.09 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -44.04 -40.63 4.94 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -73.47 -42.91 61.32 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.247 1.022 . . . . 0.0 111.091 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.91 -32.77 61.46 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 129.016 2.926 . . . . 0.0 111.241 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -45.15 -37.62 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.026 0.931 . . . . 0.0 109.794 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.0 -36.44 27.5 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 119.247 -0.752 . . . . 0.0 113.384 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.14 -23.71 10.28 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.51 1.155 . . . . 0.0 112.842 -176.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -107.41 -21.11 13.04 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 -174.12 55.29 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.37 -72.98 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.238 -0.566 . . . . 0.0 110.35 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.74 51.31 1.86 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.757 1.223 . . . . 0.0 110.153 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 22.39 60.29 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.605 3.003 . . . . 0.0 116.218 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -141.06 -4.57 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -68.75 158.89 33.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 121.266 1.848 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.55 122.56 16.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.4 -139.38 0.08 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 mtt -73.74 72.12 1.49 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.39 -165.25 29.9 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -65.27 116.09 6.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.054 0.942 . . . . 0.0 109.344 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.39 149.76 48.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.88 0.872 . . . . 0.0 108.781 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.13 133.59 92.77 Favored Pre-proline 0 N--CA 1.433 -1.321 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.23 142.25 41.14 Favored 'Trans proline' 0 N--CA 1.445 -1.349 0 N-CA-C 108.998 -1.193 . . . . 0.0 108.998 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -70.57 -36.92 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.993 1.317 . . . . 0.0 108.99 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -20.08 92.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.07 2.548 . . . . 0.0 112.418 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.93 48.68 3.38 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 126.72 2.105 . . . . 0.0 115.419 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -53.68 -54.52 36.67 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.031 1.916 . . . . 0.0 108.357 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.82 143.19 3.63 Favored Glycine 0 C--O 1.223 -0.576 0 C-N-CA 127.71 2.576 . . . . 0.0 109.946 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.24 -41.23 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.988 1.315 . . . . 0.0 111.847 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.02 -55.56 32.53 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.081 0.553 . . . . 0.0 110.252 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.98 -59.77 4.57 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 125.622 1.569 . . . . 0.0 109.15 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 mt -54.68 -45.75 73.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.742 1.217 . . . . 0.0 110.57 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.11 -53.38 59.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.641 0.655 . . . . 0.0 110.363 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.91 -47.02 86.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.742 0.246 . . . . 0.0 111.541 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -65.71 -49.47 68.37 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.937 -0.477 . . . . 0.0 111.268 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.44 -40.34 96.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.44 0.564 . . . . 0.0 110.012 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.45 -48.86 79.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.13 -50.9 32.36 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 125.375 1.464 . . . . 0.0 110.285 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.38 -58.68 6.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.885 0.874 . . . . 0.0 110.19 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.18 -45.96 61.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.682 0.674 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.27 -35.79 71.48 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.716 0.806 . . . . 0.0 111.122 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.2 14.64 35.32 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.573 1.082 . . . . 0.0 111.628 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -40.13 42.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.965 0.906 . . . . 0.0 108.77 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -106.22 136.49 45.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.83 -169.84 41.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.18 173.63 33.98 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 107.27 -2.332 . . . . 0.0 107.27 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -40.57 -69.08 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.797 1.239 . . . . 0.0 112.841 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -60.44 -25.03 65.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.13 -21.92 60.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.709 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.65 4.25 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.5 ttt -57.38 -54.27 48.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.336 0.588 . . . . 0.0 110.013 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 ttp -54.73 -45.64 74.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.588 0.755 . . . . 0.0 110.144 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -57.61 6.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.836 1.254 . . . . 0.0 108.797 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -36.03 82.13 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.763 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.7 64.39 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.981 0.809 . . . . 0.0 110.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.77 -29.46 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.516 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -47.37 -32.03 4.52 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.972 0.909 . . . . 0.0 112.461 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -57.56 -34.16 68.88 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 123.22 0.608 . . . . 0.0 111.527 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 123.3 18.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.142 0.977 . . . . 0.0 110.636 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.93 -69.57 0.51 Allowed 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -157.67 -55.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.888 0.475 . . . . 0.0 110.502 -176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -54.21 -49.56 69.13 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -53.71 -53.14 56.35 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 127.92 2.488 . . . . 0.0 109.88 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.93 -55.16 33.72 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.585 0.629 . . . . 0.0 110.446 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.15 -51.92 67.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.595 0.712 . . . . 0.0 110.772 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.47 73.99 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.232 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.34 -45.52 79.94 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -52.72 64.39 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.435 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -52.29 -51.43 58.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.213 0.205 . . . . 0.0 111.181 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.52 -57.35 12.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.133 0.973 . . . . 0.0 109.996 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 mtm -57.22 -29.7 63.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.953 0.501 . . . . 0.0 111.672 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -70.89 -3.85 21.33 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 117.814 -1.088 . . . . 0.0 113.096 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.29 45.48 2.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 N--CA 1.426 -1.629 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.081 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.538 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.94 -48.06 32.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.877 1.271 . . . . 0.0 112.063 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -48.01 63.27 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.427 0.691 . . . . 0.0 111.506 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.28 -41.37 70.1 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 124.029 0.932 . . . . 0.0 109.77 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.04 -30.6 11.11 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.163 1.385 . . . . 0.0 112.441 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -46.8 -26.34 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.928 0.891 . . . . 0.0 112.371 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -84.47 -25.3 29.0 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.901 1.281 . . . . 0.0 112.386 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.96 -35.41 14.72 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 111.056 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 pt -52.98 142.3 5.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -46.56 1.15 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.92 -53.69 4.48 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.361 1.58 . . . . 0.0 107.935 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.07 -14.43 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.84 163.21 13.41 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.752 0.692 . . . . 0.0 111.979 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.89 62.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.575 1.15 . . . . 0.0 112.439 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -83.4 -3.67 57.76 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.095 0.958 . . . . 0.0 112.92 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.32 58.15 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.238 -0.757 . . . . 0.0 113.808 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -95.91 -17.57 20.96 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -78.7 45.4 0.59 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.656 1.571 . . . . 0.0 113.205 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.62 -113.04 0.75 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.49 -159.32 0.62 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 128.385 2.674 . . . . 0.0 104.803 170.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -81.44 65.24 6.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.617 1.099 . . . . 0.0 108.779 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.85 170.06 18.1 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.8 m -71.98 65.4 0.55 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.069 0.948 . . . . 0.0 111.3 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.92 154.62 17.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.792 1.237 . . . . 0.0 109.588 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.26 115.16 12.08 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 144.34 97.25 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 CA-C-N 119.93 1.011 . . . . 0.0 109.639 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -51.4 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 tptp 39.12 -96.91 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.822 1.649 . . . . 0.0 108.796 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.02 59.14 0.44 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -41.35 -53.91 3.17 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.072 1.415 . . . . 0.0 109.823 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.07 132.45 1.34 Allowed Glycine 0 CA--C 1.524 0.655 0 CA-C-N 112.19 -2.277 . . . . 0.0 108.888 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -44.81 9.84 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 119.767 1.783 . . . . 0.0 113.438 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.47 -48.91 77.53 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 118.786 0.721 . . . . 0.0 110.0 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -60.16 3.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.108 1.763 . . . . 0.0 108.809 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.23 -46.73 82.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.549 1.54 . . . . 0.0 110.418 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.87 -52.21 66.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.38 -50.69 72.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -60.51 -50.75 72.33 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.794 0.838 . . . . 0.0 111.367 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -63.71 -40.16 96.09 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.026 -0.421 . . . . 0.0 110.052 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -59.96 -44.5 94.4 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.79 -53.33 22.25 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 125.937 1.732 . . . . 0.0 109.559 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.88 -49.45 76.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.884 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.07 61.49 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.146 0.578 . . . . 0.0 111.784 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.96 -38.46 86.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.424 0.69 . . . . 0.0 110.813 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.88 2.33 36.61 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.536 1.065 . . . . 0.0 111.384 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.95 89.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.218 1.009 . . . . 0.0 109.077 176.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -106.74 142.3 36.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -161.81 35.58 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 119.153 0.888 . . . . 0.0 111.442 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.32 -169.6 38.46 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 106.447 -2.661 . . . . 0.0 106.447 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.4 -76.59 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.986 0.893 . . . . 0.0 111.455 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -53.0 -38.54 62.4 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.368 0.604 . . . . 0.0 111.535 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -50.42 -31.27 14.53 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.954 1.301 . . . . 0.0 111.21 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.54 -41.03 6.14 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.07 -52.04 65.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.519 0.676 . . . . 0.0 109.994 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 ttp -57.27 -50.56 72.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.607 1.163 . . . . 0.0 108.63 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -48.73 -55.61 10.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.777 1.231 . . . . 0.0 109.747 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -43.38 90.61 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.331 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.42 -59.66 5.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.201 0.455 . . . . 0.0 110.865 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.3 m -62.58 -30.16 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.617 -0.677 . . . . 0.0 111.877 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.98 -25.82 58.93 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.13 0.877 . . . . 0.0 111.237 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -19.29 62.76 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.666 0.666 . . . . 0.0 111.832 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.08 132.74 35.38 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.85 1.26 . . . . 0.0 111.469 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -79.63 167.89 20.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -46.11 -45.17 16.23 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -57.33 -48.74 78.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 C-N-CA 124.621 1.168 . . . . 0.0 110.255 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.91 -45.66 81.14 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.255 1.822 . . . . 0.0 110.479 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.5 -52.99 51.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -60.83 -41.67 96.23 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.811 -0.556 . . . . 0.0 110.297 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.42 75.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -52.9 63.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 119.216 0.916 . . . . 0.0 108.738 177.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.07 74.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.656 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.15 -53.92 46.72 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.134 0.574 . . . . 0.0 111.45 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.16 -59.92 3.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.6 mtm -57.53 -46.65 83.61 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.453 1.101 . . . . 0.0 111.537 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -73.93 30.73 0.08 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 120.03 -1.669 . . . . 0.0 113.205 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -153.64 34.66 0.45 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.433 -1.316 0 C-N-CA 126.616 1.966 . . . . 0.0 107.51 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 CA-C-O 120.012 -0.326 . . . . 0.0 113.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -37.7 -55.22 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 113.545 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.02 -37.32 52.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.408 1.083 . . . . 0.0 112.05 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.69 -52.88 6.71 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 108.397 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.57 -43.09 7.83 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 125.661 1.584 . . . . 0.0 112.947 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -47.05 -30.27 2.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -46.18 37.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.807 0.813 . . . . 0.0 110.233 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -58.56 -31.29 67.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.1 1.76 . . . . 0.0 109.984 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.7 mt -43.75 -37.3 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.278 0 C-N-CA 124.429 1.092 . . . . 0.0 110.949 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.05 -38.79 6.24 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.342 0.496 . . . . 0.0 112.519 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.0 m -106.89 -36.98 6.49 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -87.05 -16.61 35.12 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.5 174.64 46.46 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.394 -1.883 . . . . 0.0 108.394 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 46.13 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.186 -1.185 . . . . 0.0 112.477 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 179.93 -47.13 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.062 1.345 . . . . 0.0 112.356 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.35 53.54 0.21 Allowed Glycine 0 C--N 1.335 0.479 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.0 p -110.88 -57.7 2.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.173 1.389 . . . . 0.0 114.139 -172.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -66.71 31.66 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -167.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.57 21.93 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.569 2.348 . . . . 0.0 117.261 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 33.88 -123.67 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.0 1.72 . . . . 0.0 113.269 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.37 79.68 0.25 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.544 0.688 . . . . 0.0 111.825 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.08 -55.53 3.14 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.814 1.197 . . . . 0.0 115.669 171.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -151.13 46.3 0.83 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 118.997 1.398 . . . . 0.0 113.541 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.83 141.54 49.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.779 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -60.81 130.46 90.79 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.28 140.13 62.68 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 121.045 1.163 . . . . 0.0 111.456 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -82.7 -32.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.567 1.147 . . . . 0.0 110.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -37.95 99.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.758 1.623 . . . . 0.0 111.66 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.74 44.43 60.56 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 117.537 -1.702 . . . . 0.0 115.585 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.06 -57.37 10.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 121.103 2.451 . . . . 0.0 110.325 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.44 150.68 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 127.148 2.308 . . . . 0.0 109.376 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.87 88.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.677 1.738 . . . . 0.0 111.176 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -59.69 -58.06 10.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.38 -62.31 1.56 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 126.618 1.967 . . . . 0.0 109.319 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.9 mt -53.11 -62.21 1.8 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.714 0.806 . . . . 0.0 109.62 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.04 -51.97 12.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 119.616 1.098 . . . . 0.0 112.042 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -57.0 -46.89 81.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.678 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -61.25 -56.23 22.96 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.131 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.16 70.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 120.518 1.508 . . . . 0.0 110.576 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -61.26 -46.78 88.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.279 0.491 . . . . 0.0 110.687 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.8 -49.76 64.55 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.278 0.942 . . . . 0.0 111.122 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -60.82 -53.91 51.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.485 0.714 . . . . 0.0 109.63 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.77 72.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.964 0.506 . . . . 0.0 111.32 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.95 -36.73 85.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.948 0.899 . . . . 0.0 110.249 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.82 18.17 28.27 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.407 1.003 . . . . 0.0 111.735 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -89.4 -63.52 1.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -76.77 67.37 2.83 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.343 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.52 -145.18 5.81 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.267 0.937 . . . . 0.0 110.795 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.85 -145.91 13.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -87.79 0.05 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.326 1.05 . . . . 0.0 111.899 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -51.65 -32.79 30.81 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 119.645 1.112 . . . . 0.0 110.943 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -46.48 -25.83 0.75 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.141 2.576 . . . . 0.0 112.762 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.38 -40.67 50.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.817 -0.552 . . . . 0.0 110.731 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.9 -52.77 63.99 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.2 mmm -52.87 -52.0 59.03 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.107 1.363 . . . . 0.0 110.151 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 m -48.54 -57.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.437 1.495 . . . . 0.0 108.961 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -41.5 93.77 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -54.78 43.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.876 0.307 . . . . 0.0 110.479 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.24 -33.46 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.446 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -29.79 39.31 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.945 0.793 . . . . 0.0 111.579 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -68.17 -19.98 64.84 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.2 27.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.071 1.348 . . . . 0.0 110.549 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -89.7 171.91 9.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.536 1.134 . . . . 0.0 109.825 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -50.28 -47.68 55.33 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.249 -0.907 . . . . 0.0 112.641 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.45 -54.7 24.26 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-O 122.037 0.922 . . . . 0.0 109.872 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.51 -47.48 85.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.728 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -57.29 -48.48 78.8 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.726 1.21 . . . . 0.0 109.723 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -58.19 -47.74 82.49 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.15 86.35 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.0 -50.6 71.41 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.18 -57.24 11.16 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.222 0.326 . . . . 0.0 110.796 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.55 -47.48 63.4 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.676 0.39 . . . . 0.0 111.378 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.57 -57.8 11.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.372 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.3 mtm -59.4 -26.99 65.61 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.857 0.863 . . . . 0.0 112.952 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -66.01 -19.97 66.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.623 0.647 . . . . 0.0 112.565 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -118.04 48.49 1.39 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 19.0 tp . . . . . 0 N--CA 1.43 -1.426 0 CA-C-O 116.375 -1.774 . . . . 0.0 108.939 -170.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.32 -51.4 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.43 1.492 . . . . 0.0 112.392 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.1 89.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.885 0.474 . . . . 0.0 112.252 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.45 -49.77 51.82 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 123.535 0.734 . . . . 0.0 109.666 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -46.25 -38.99 9.23 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -44.43 -37.3 3.33 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 111.922 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.75 34.35 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.024 0.916 . . . . 0.0 110.218 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -57.27 -38.3 73.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.15 2.18 . . . . 0.0 110.467 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -47.16 -34.49 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.058 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.3 -36.72 10.85 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.256 0.455 . . . . 0.0 112.4 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.19 -38.4 6.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.564 0.746 . . . . 0.0 110.831 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -79.51 -21.68 44.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.65 46.7 73.77 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.266 0.936 . . . . 0.0 114.49 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.67 -70.19 0.08 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.252 1.421 . . . . 0.0 112.324 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.36 31.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.264 1.026 . . . . 0.0 112.303 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 29.2 47.24 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.601 2.525 . . . . 0.0 116.169 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -135.78 -18.7 1.62 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.91 150.54 47.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.78 1.173 . . . . 0.0 109.729 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 125.92 25.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.31 -131.11 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.29 69.7 1.61 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.01 30.48 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 p -66.11 111.86 3.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.32 1.048 . . . . 0.0 109.498 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.39 130.24 47.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.864 1.265 . . . . 0.0 108.62 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 110.04 1.09 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.604 1.561 . . . . 0.0 109.389 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.68 113.77 1.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.12 2.547 . . . . 0.0 114.678 -175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -45.8 -43.35 4.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 125.335 1.454 . . . . 0.0 110.654 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -29.88 87.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.29 2.636 . . . . 0.0 111.353 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.11 52.84 9.71 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.952 1.263 . . . . 0.0 115.895 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -53.29 -50.57 64.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 123.631 1.682 . . . . 0.0 108.041 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.46 153.16 6.02 Favored Glycine 0 C--O 1.227 -0.291 1 C-N-CA 131.406 4.336 . . . . 0.0 106.239 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.55 98.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.813 0.806 . . . . 0.0 110.822 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.83 -54.94 40.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.279 0.632 . . . . 0.0 109.887 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.42 -56.75 12.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 125.918 1.687 . . . . 0.0 109.679 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.41 -65.45 0.56 Allowed 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -42.9 -49.94 5.83 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.184 0.994 . . . . 0.0 112.409 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -53.34 -47.94 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.756 0.253 . . . . 0.0 110.82 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.62 -47.64 53.21 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 117.492 -1.242 . . . . 0.0 112.104 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 121.316 1.871 . . . . 0.0 110.152 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.2 -47.84 72.6 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.92 -51.92 42.55 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.341 0.972 . . . . 0.0 111.085 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -58.73 -55.58 33.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 109.456 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.55 75.41 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.513 -0.742 . . . . 0.0 111.976 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.11 -39.13 86.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.273 1.029 . . . . 0.0 109.676 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.25 30.39 8.26 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.416 1.008 . . . . 0.0 110.954 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -100.62 -71.4 0.71 Allowed 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.74 134.66 53.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 174.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.32 -172.55 44.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.07 162.24 26.12 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 107.319 -2.312 . . . . 0.0 107.319 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -49.04 -55.8 10.96 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.426 1.113 . . . . 0.0 111.598 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -57.19 -23.46 47.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -89.74 -1.78 58.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.837 1.255 . . . . 0.0 111.464 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.93 58.89 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.688 1.131 . . . . 0.0 113.46 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -55.72 -56.18 23.56 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.308 0.575 . . . . 0.0 109.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.2 ttp -52.12 -47.4 65.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.39 1.076 . . . . 0.0 110.171 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.4 m -54.16 -52.79 60.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.046 0.938 . . . . 0.0 109.03 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -40.85 90.23 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 122.124 -0.36 . . . . 0.0 110.417 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -56.3 23.96 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.115 0.416 . . . . 0.0 110.15 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.03 -30.55 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.698 -0.626 . . . . 0.0 111.6 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -31.3 62.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.005 0.82 . . . . 0.0 109.991 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -79.45 -11.71 59.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.208 0.603 . . . . 0.0 112.359 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.64 143.2 26.63 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.748 1.219 . . . . 0.0 110.363 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -87.62 171.44 10.47 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.31 -41.24 65.45 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 0.0 112.486 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -59.9 -52.55 64.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.668 1.187 . . . . 0.0 109.668 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.82 -50.36 72.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.737 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -56.26 -52.79 63.18 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 124.704 1.201 . . . . 0.0 111.534 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -56.7 -45.52 81.77 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 118.351 0.523 . . . . 0.0 110.393 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.83 74.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.72 -48.22 69.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.96 -55.65 25.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.09 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -53.49 -45.74 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.04 0.536 . . . . 0.0 111.039 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -56.46 -59.62 4.71 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.62 -26.7 67.21 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.515 0.726 . . . . 0.0 112.945 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 p -68.02 -18.93 64.85 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.258 -0.902 . . . . 0.0 112.481 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -106.74 41.87 1.38 Allowed 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.312 0.645 . . . . 0.0 110.971 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.426 -1.641 0 C-N-CA 126.335 1.854 . . . . 0.0 106.032 177.753 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.881 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.56 -51.47 15.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.937 0.895 . . . . 0.0 112.685 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.95 88.97 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.112 -0.368 . . . . 0.0 111.739 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.92 -44.02 94.17 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.776 1.23 . . . . 0.0 110.255 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -51.58 -43.73 62.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -30.24 -64.6 0.12 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 126.551 1.94 . . . . 0.0 113.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -53.1 -37.09 61.43 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -61.99 -24.63 67.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.347 1.459 . . . . 0.0 111.104 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -49.09 -34.16 6.44 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 123.475 0.71 . . . . 0.0 109.563 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.54 -36.88 6.32 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.018 0.818 . . . . 0.0 113.076 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.4 m -113.01 -31.4 6.69 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.094 0.947 . . . . 0.0 111.475 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.84 -19.71 17.97 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.73 165.09 34.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.69 -61.77 2.0 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 123.808 0.843 . . . . 0.0 111.063 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -90.4 36.93 0.89 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.915 0.886 . . . . 0.0 112.032 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.71 36.99 1.83 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.47 1.986 . . . . 0.0 114.175 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -83.29 -41.41 18.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.789 1.636 . . . . 0.0 113.508 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -64.78 131.16 46.05 Favored 'General case' 0 N--CA 1.421 -1.886 0 C-N-CA 123.841 0.857 . . . . 0.0 110.707 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.5 41.21 0.25 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.154 1.382 . . . . 0.0 111.555 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 44.46 -142.34 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.138 1.775 . . . . 0.0 111.765 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.1 mmt -115.47 43.04 2.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.62 1.168 . . . . 0.0 108.38 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.3 44.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.001 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 48.79 45.0 22.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.839 0.855 . . . . 0.0 112.221 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.06 146.66 54.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.863 0.465 . . . . 0.0 110.751 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 132.51 95.05 Favored Pre-proline 0 C--O 1.234 0.269 0 N-CA-C 102.913 -2.995 . . . . 0.0 102.913 170.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -57.57 139.12 89.2 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 N-CA-C 108.977 -1.201 . . . . 0.0 108.977 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -62.62 -43.73 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -27.8 89.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 128.28 2.632 . . . . 0.0 112.194 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.75 41.78 5.88 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.547 -1.14 . . . . 0.0 115.84 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.313 5.5 pt20 -58.6 -36.24 73.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.432 1.616 . . . . 0.0 110.531 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.18 135.55 2.26 Favored Glycine 0 C--O 1.218 -0.903 0 C-N-CA 126.203 1.859 . . . . 0.0 111.586 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.98 -36.61 50.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.573 2.187 . . . . 0.0 112.362 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.28 -55.63 23.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -49.14 -61.03 2.29 Favored 'General case' 0 N--CA 1.458 -0.031 0 C-N-CA 125.898 1.679 . . . . 0.0 108.857 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.69 -50.02 66.77 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.314 2.246 . . . . 0.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.21 -47.52 85.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.482 1.037 . . . . 0.0 110.837 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -60.44 -52.78 63.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.657 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.0 -41.98 81.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.8 0.84 . . . . 0.0 110.905 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -67.16 -42.24 84.65 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.673 0.67 . . . . 0.0 109.799 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -40.46 97.67 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.48 -63.69 2.06 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 127.533 2.492 . . . . 0.0 110.178 172.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -60.29 -49.92 75.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.875 -1.163 . . . . 0.0 110.256 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.31 72.77 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.38 0.672 . . . . 0.0 112.074 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.56 -45.15 60.64 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.72 34.93 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.147 0.879 . . . . 0.0 111.866 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 p -68.3 -60.99 2.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -76.35 74.31 3.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.93 -177.36 42.17 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.74 162.46 9.27 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.711 1.148 . . . . 0.0 110.912 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 42.3 -118.41 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.301 1.84 . . . . 0.0 111.116 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.24 -32.83 68.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 124.092 0.957 . . . . 0.0 111.873 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -73.48 -13.03 60.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.0 0.92 . . . . 0.0 110.927 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.0 80.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.232 0.469 . . . . 0.0 111.493 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.6 mtm -58.07 -56.13 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.354 0.662 . . . . 0.0 109.459 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ttp -52.78 -51.54 60.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.712 1.205 . . . . 0.0 109.077 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -47.97 -57.65 5.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.248 1.019 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -37.74 87.48 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.812 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.16 2.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.518 0.599 . . . . 0.0 110.407 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.8 m -63.56 -28.49 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.787 -0.571 . . . . 0.0 112.054 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.48 -29.01 14.92 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.284 0.947 . . . . 0.0 112.169 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -63.59 -30.31 71.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.832 0.742 . . . . 0.0 111.89 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.54 128.98 36.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.849 1.26 . . . . 0.0 111.363 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -86.3 175.77 8.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -47.44 -44.58 25.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.54 -51.36 69.77 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.913 0.863 . . . . 0.0 110.32 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.03 -52.02 67.57 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 126.528 1.931 . . . . 0.0 109.866 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.97 -55.13 29.99 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.58 0.752 . . . . 0.0 109.869 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.46 -49.85 69.12 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.955 0.902 . . . . 0.0 109.714 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.08 74.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.973 -0.537 . . . . 0.0 112.35 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.31 -46.3 70.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.75 -52.28 64.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.61 -49.98 66.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.393 0.277 . . . . 0.0 110.947 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.86 -59.78 4.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 110.201 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.5 mtm -54.11 -29.29 44.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 112.43 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -74.29 -1.82 22.36 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.696 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.56 50.12 1.88 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.253 1.285 0 CA-C-O 115.821 -2.038 . . . . 0.0 106.11 -171.577 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -54.72 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.116 1.366 . . . . 0.0 111.758 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.14 75.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 122.393 0.277 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.79 -43.42 88.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.398 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.49 -30.64 42.18 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.27 -34.56 57.73 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.901 -0.499 . . . . 0.0 111.423 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -82.32 6.27 17.51 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.606 0.762 . . . . 0.0 113.002 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -120.51 -37.32 3.04 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.946 1.698 . . . . 0.0 109.173 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.52 151.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.435 1.094 . . . . 0.0 108.19 172.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.7 -51.61 3.59 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.505 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.4 t -76.26 -46.84 26.12 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.845 1.822 . . . . 0.0 107.116 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -76.42 -21.75 55.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.363 1.465 . . . . 0.0 112.006 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.64 -128.15 9.48 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 106.727 -2.549 . . . . 0.0 106.727 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.97 -70.15 0.83 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -84.71 49.91 1.8 Allowed 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 125.005 1.322 . . . . 0.0 110.981 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 28.8 47.88 0.08 OUTLIER Glycine 0 CA--C 1.532 1.151 0 C-N-CA 128.092 2.758 . . . . 0.0 116.296 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -107.6 -18.98 13.7 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.02 121.45 14.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 120.035 1.289 . . . . 0.0 110.929 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.24 41.93 0.55 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.89 0.876 . . . . 0.0 109.604 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.12 -114.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 131.212 3.805 . . . . 0.0 118.295 -170.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.7 mtm -61.69 91.99 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.86 59.28 4.82 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.895 1.236 . . . . 0.0 114.801 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m 58.9 55.6 4.47 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.125 0.97 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 146.3 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.643 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -63.72 143.51 98.02 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.14 146.3 86.53 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 N-CA-C 108.34 -1.446 . . . . 0.0 108.34 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 t -93.41 -29.29 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.459 0.703 . . . . 0.0 110.932 -174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -36.45 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.309 1.844 . . . . 0.0 111.432 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.4 47.16 51.63 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.115 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -53.5 -50.55 65.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.875 2.337 . . . . 0.0 108.956 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.09 155.15 7.01 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 128.701 3.048 . . . . 0.0 109.202 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.11 99.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.062 0.931 . . . . 0.0 111.972 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.73 -53.2 57.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -50.51 -61.51 2.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 125.825 1.65 . . . . 0.0 109.002 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -52.64 -61.51 2.24 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.149 0.98 . . . . 0.0 109.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -44.07 -52.65 6.99 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.168 0.895 . . . . 0.0 111.74 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.06 -46.65 85.05 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.94 0.15 . . . . 0.0 110.793 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.23 -57.26 13.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.506 0.722 . . . . 0.0 111.542 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.31 86.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.156 1.344 . . . . 0.0 111.202 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -60.85 -46.74 89.4 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.31 77.11 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.277 0.942 . . . . 0.0 111.127 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.38 -53.72 53.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.24 77.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.755 0.822 . . . . 0.0 111.787 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -61.71 -36.56 81.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.907 0.883 . . . . 0.0 109.719 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.48 29.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 p -93.33 -65.4 1.0 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -74.94 71.28 2.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.81 170.11 41.1 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.47 160.81 11.13 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 108.538 -1.825 . . . . 0.0 108.538 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 34.06 -114.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.647 1.979 . . . . 0.0 112.684 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -53.69 -31.58 48.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.545 1.538 . . . . 0.0 112.984 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -78.55 -6.65 56.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.474 0.71 . . . . 0.0 111.873 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.34 -41.77 66.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.854 0.752 . . . . 0.0 111.078 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.1 -47.9 83.56 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.33 0.652 . . . . 0.0 109.733 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 mtm -58.53 -52.61 64.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -47.47 -56.13 7.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.042 0.537 . . . . 0.0 109.685 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -47.97 78.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.767 0.712 . . . . 0.0 110.778 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.27 -60.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.919 0.327 . . . . 0.0 111.074 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 m -70.91 -23.42 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.752 -0.593 . . . . 0.0 112.415 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -59.4 -29.84 68.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.04 1.291 . . . . 0.0 109.928 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -73.41 -12.4 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.28 -168.2 2.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.454 1.502 . . . . 0.0 109.214 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.0 m -157.31 176.96 12.0 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.897 1.679 . . . . 0.0 108.254 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -44.03 -53.26 6.45 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -173.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.08 -54.68 14.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.557 1.143 . . . . 0.0 110.521 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.7 -51.59 68.74 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.996 -1.457 . . . . 0.0 110.268 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.47 -49.82 73.54 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.953 1.301 . . . . 0.0 111.14 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -58.62 -50.5 73.59 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.72 78.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.93 -51.6 67.47 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.23 -54.77 39.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.724 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -50.4 -43.99 54.83 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.21 0.604 . . . . 0.0 111.223 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -57.69 -60.78 3.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.401 0.619 . . . . 0.0 109.889 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.7 mtm -59.61 -24.56 63.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.137 0.975 . . . . 0.0 113.334 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.0 m -67.54 -17.64 64.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 123.813 0.845 . . . . 0.0 112.719 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -131.64 64.32 1.59 Allowed 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 26.5 tp . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 116.462 -1.733 . . . . 0.0 107.814 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.52 98.93 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.767 0.784 . . . . 0.0 112.594 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.06 57.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -49.8 -48.5 50.65 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 125.325 1.45 . . . . 0.0 111.636 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -47.31 -31.8 4.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.376 1.07 . . . . 0.0 113.747 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -48.49 -39.72 24.06 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.959 0.345 . . . . 0.0 110.923 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -62.91 -22.66 66.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.98 -23.86 22.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.818 1.247 . . . . 0.0 111.36 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.61 141.59 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.01 -42.44 1.9 Allowed Glycine 0 CA--C 1.521 0.468 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -96.76 -40.99 8.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.628 1.214 . . . . 0.0 108.65 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -105.56 -27.96 11.06 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.57 -159.1 20.39 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.63 -47.0 28.34 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.25 1.025 . . . . 0.0 112.757 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -85.44 -65.06 1.05 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.208 0.603 . . . . 0.0 109.91 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.64 41.79 0.03 OUTLIER Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.964 1.745 . . . . 0.0 109.851 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 p -101.53 -38.91 7.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -172.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -58.96 134.73 57.22 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 124.139 0.976 . . . . 0.0 113.195 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 115.11 7.93 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.66 -122.82 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.938 0.895 . . . . 0.0 110.445 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.1 83.42 0.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.67 -167.35 38.57 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -69.34 57.81 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.152 1.781 . . . . 0.0 113.406 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 137.24 57.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 110.048 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.32 119.61 29.18 Favored Pre-proline 0 N--CA 1.435 -1.185 0 C-N-CA 124.528 1.131 . . . . 0.0 108.063 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.23 136.84 55.1 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.888 1.725 . . . . 0.0 110.197 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -85.1 -35.05 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.935 0.894 . . . . 0.0 109.585 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.56 113.42 0.64 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.451 1.1 . . . . 0.0 108.744 176.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.0 77.99 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 116.941 -2.033 . . . . 0.0 117.596 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.51 -48.11 82.91 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.176 2.988 . . . . 0.0 108.154 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 143.19 4.27 Favored Glycine 0 C--O 1.219 -0.786 0 C-N-CA 128.886 3.136 . . . . 0.0 109.988 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.76 -48.25 15.41 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.181 1.392 . . . . 0.0 114.654 -177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.32 73.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.731 0.696 . . . . 0.0 109.899 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.22 2.21 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.058 1.743 . . . . 0.0 107.904 177.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.0 mt -53.31 -63.42 1.15 Allowed 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.585 1.954 . . . . 0.0 109.221 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -41.69 -53.0 3.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.5 0.72 . . . . 0.0 110.956 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -59.17 -44.36 92.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.09 -44.73 71.91 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.154 -0.926 . . . . 0.0 112.433 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -41.51 90.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 121.251 1.841 . . . . 0.0 108.75 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -55.73 -44.43 77.52 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.411 ' CA ' ' HB3' ' A' ' 49' ' ' TYR . . . -43.66 -67.05 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 128.789 3.09 . . . . 0.0 110.71 173.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.46 -49.17 78.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.909 -1.145 . . . . 0.0 110.43 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.92 74.51 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.569 0.747 . . . . 0.0 111.747 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.06 -42.41 66.29 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.04 -15.09 40.28 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.983 0.801 . . . . 0.0 111.267 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -61.27 -61.13 2.77 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.411 ' HB3' ' CA ' ' A' ' 43' ' ' GLY . 55.0 t80 -76.58 72.22 3.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.73 179.97 30.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.03 162.39 35.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 106.996 -2.441 . . . . 0.0 106.996 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -43.75 -55.18 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.106 0.953 . . . . 0.0 113.5 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -59.86 -26.92 66.23 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -92.26 -1.96 56.76 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.156 1.383 . . . . 0.0 111.069 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.56 -44.87 66.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.991 0.814 . . . . 0.0 112.11 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 ptp -59.21 -46.07 89.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.687 0.395 . . . . 0.0 110.934 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.5 ttp -61.3 -50.25 73.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -46.68 -53.11 12.35 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.701 0.8 . . . . 0.0 109.618 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -43.31 99.1 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.178 0.899 . . . . 0.0 110.765 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.113 0.415 . . . . 0.0 110.618 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.2 m -78.71 -21.38 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.49 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -53.97 -35.51 61.87 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.079 1.308 . . . . 0.0 109.76 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -63.83 -22.16 66.78 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.696 0.798 . . . . 0.0 112.244 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.72 121.15 27.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.127 1.371 . . . . 0.0 111.127 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -82.75 -176.98 6.56 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.93 -49.57 62.86 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.51 -52.78 60.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.975 0.893 . . . . 0.0 109.302 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.5 -51.07 69.89 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.305 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 mt -57.19 -51.02 71.0 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.373 0.669 . . . . 0.0 110.496 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -57.56 -44.21 85.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.16 87.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.29 -0.256 . . . . 0.0 111.641 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.4 -49.64 77.02 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.9 53.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.938 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -48.67 -51.74 26.85 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.84 0.856 . . . . 0.0 111.279 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -49.8 -63.48 1.1 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.675 0.79 . . . . 0.0 110.211 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.3 mtm -61.82 -24.35 66.82 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -79.82 1.36 27.2 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.961 -1.018 . . . . 0.0 112.631 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -135.42 48.6 2.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -174.135 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.55 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.151 1.781 . . . . 0.0 113.184 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.9 71.94 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 118.539 0.609 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -41.05 -42.0 1.83 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.584 1.554 . . . . 0.0 113.839 -176.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -48.57 -39.5 23.88 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.918 1.287 . . . . 0.0 111.636 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -65.79 -22.65 66.59 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.319 1.048 . . . . 0.0 113.112 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -87.21 -24.78 24.31 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.525 1.53 . . . . 0.0 111.155 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.65 146.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 -47.95 1.33 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.0 -44.69 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.974 1.387 . . . . 0.0 107.419 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -93.5 -32.32 14.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.71 -172.28 14.48 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -69.44 0.28 Allowed 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -69.61 -48.96 58.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.892 0.877 . . . . 0.0 109.302 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.81 48.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 C-N-CA 126.478 1.99 . . . . 0.0 109.97 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -98.2 -27.37 14.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.761 2.024 . . . . 0.0 115.181 -173.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -80.5 144.02 32.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 119.834 1.197 . . . . 0.0 111.203 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.8 90.61 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.525 0.73 . . . . 0.0 110.375 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.64 143.78 3.62 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.303 0.641 . . . . 0.0 110.065 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.0 mtp 47.13 35.72 3.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.391 1.076 . . . . 0.0 111.413 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.52 34.33 27.15 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.976 1.274 . . . . 0.0 113.171 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -163.73 -28.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.51 143.55 40.28 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.69 142.84 98.05 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -66.06 150.24 85.42 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -92.48 -33.07 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 122.971 0.509 . . . . 0.0 111.363 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 113.65 0.86 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.63 33.73 83.39 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.057 -1.968 . . . . 0.0 116.64 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.88 -55.38 35.86 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 122.048 2.924 . . . . 0.0 107.828 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.35 142.47 3.41 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 111.983 -2.371 . . . . 0.0 109.535 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.3 76.69 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 119.344 1.572 . . . . 0.0 112.138 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -49.67 72.22 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -50.27 -61.05 2.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.366 1.066 . . . . 0.0 108.905 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.57 -60.06 3.8 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.398 1.079 . . . . 0.0 109.393 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -43.75 -57.53 3.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 119.566 1.076 . . . . 0.0 111.231 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.65 -49.27 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.317 -1.311 . . . . 0.0 110.711 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.39 -55.61 26.22 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.08 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -41.26 80.23 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 120.361 1.437 . . . . 0.0 110.668 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -62.71 -47.86 81.76 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.64 34.66 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.78 1.657 . . . . 0.0 110.664 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.1 -59.02 6.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.742 0.817 . . . . 0.0 109.164 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.62 55.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.104 0.561 . . . . 0.0 112.096 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.53 -39.07 85.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.628 0.771 . . . . 0.0 110.916 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.9 12.71 27.22 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.679 1.133 . . . . 0.0 111.647 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -41.6 26.19 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -96.34 151.57 19.4 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.81 -164.14 31.13 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.38 112.11 1.15 Allowed Glycine 0 CA--C 1.531 1.066 0 CA-C-N 117.76 0.78 . . . . 0.0 112.105 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 46.95 -107.2 0.16 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.797 1.639 . . . . 0.0 111.359 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -52.15 -35.41 48.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.969 1.707 . . . . 0.0 111.791 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -67.84 -5.52 17.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.974 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.83 98.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.926 0.784 . . . . 0.0 110.454 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -62.22 -53.11 59.92 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 tpt -48.68 -52.69 22.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.077 1.751 . . . . 0.0 109.289 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 m -53.32 -54.88 30.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.284 1.034 . . . . 0.0 110.043 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -40.65 76.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.635 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.47 8.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.01 0.368 . . . . 0.0 110.518 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -66.28 -32.58 58.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 121.874 -0.516 . . . . 0.0 112.336 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -54.9 -24.19 22.34 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.79 0.836 . . . . 0.0 112.436 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.19 -17.8 61.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.79 0.723 . . . . 0.0 112.092 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.7 179.07 6.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.836 1.254 . . . . 0.0 111.099 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 t -127.0 162.94 24.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 110.074 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -42.98 -49.87 5.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.095 1.358 . . . . 0.0 113.964 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -55.86 -44.36 77.99 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.836 0.854 . . . . 0.0 111.057 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.41 -54.19 46.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.67 -50.17 55.46 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.238 1.015 . . . . 0.0 112.233 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -50.6 70.44 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.352 0.596 . . . . 0.0 109.689 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.43 75.1 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.287 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp -65.68 -49.88 66.97 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.77 -54.04 47.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.556 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.68 -51.73 62.28 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.372 -0.205 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -54.16 -57.01 12.75 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.321 1.048 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.11 -26.91 69.04 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.805 -0.559 . . . . 0.0 112.101 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -76.87 6.06 6.79 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.186 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -134.07 43.54 2.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 -174.109 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 CA-C-O 121.668 0.594 . . . . 0.0 114.255 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.07 -57.98 9.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.431 1.492 . . . . 0.0 114.111 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.62 63.9 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.16 0.584 . . . . 0.0 111.774 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.95 -56.72 4.6 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -48.1 -41.24 25.78 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.616 1.166 . . . . 0.0 113.8 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.6 -32.24 12.37 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.778 0.717 . . . . 0.0 112.522 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -44.73 53.87 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 122.758 1.266 . . . . 0.0 110.166 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -33.36 69.44 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 129.342 3.057 . . . . 0.0 110.938 -175.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -46.03 -35.87 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.78 0.832 . . . . 0.0 109.332 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.47 -39.28 10.01 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.882 -0.954 . . . . 0.0 113.028 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 m -116.87 -12.14 10.79 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.714 1.257 . . . . 0.0 112.555 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -121.49 -5.79 9.27 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.04 -160.47 38.6 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 121.162 -0.961 . . . . 0.0 111.576 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.79 -55.5 5.43 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -80.49 45.57 0.78 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.194 1.397 . . . . 0.0 113.097 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 25.83 53.54 0.06 OUTLIER Glycine 0 CA--C 1.533 1.178 0 C-N-CA 127.947 2.689 . . . . 0.0 114.713 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -121.89 -109.06 0.34 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.024 0.912 . . . . 0.0 111.653 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt 41.06 110.93 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.954 3.302 . . . . 0.0 114.966 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.43 68.22 2.08 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.65 -91.45 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.373 1.469 . . . . 0.0 111.436 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 mmt -75.46 70.58 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.79 -172.28 54.83 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -64.59 69.2 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.079 1.752 . . . . 0.0 113.247 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 123.27 20.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.218 1.007 . . . . 0.0 110.288 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 131.26 63.98 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.94 93.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.709 1.606 . . . . 0.0 111.526 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -27.9 -47.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 129.371 3.068 . . . . 0.0 113.436 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -31.47 95.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.459 2.304 . . . . 0.0 111.12 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 42.74 97.26 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 117.824 -1.542 . . . . 0.0 116.942 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.15 -50.8 68.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.096 1.948 . . . . 0.0 106.75 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 143.74 3.76 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 128.573 2.987 . . . . 0.0 108.082 173.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -42.4 76.29 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.249 2.524 . . . . 0.0 111.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.11 -57.86 11.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.155 0.502 . . . . 0.0 109.715 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.76 -57.94 7.14 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 126.025 1.73 . . . . 0.0 109.614 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.07 -61.02 2.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 108.644 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -45.8 -55.07 7.04 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.312 0.96 . . . . 0.0 112.119 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -53.35 -46.19 69.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.166 0.291 . . . . 0.0 110.881 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -67.09 -42.04 85.31 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.395 1.078 . . . . 0.0 111.404 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmt -58.68 -47.86 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 120.884 1.675 . . . . 0.0 108.62 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -58.24 -44.84 88.46 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.96 -64.77 1.59 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 127.865 2.65 . . . . 0.0 111.409 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -65.67 -51.73 57.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.66 -1.27 . . . . 0.0 109.772 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.37 65.4 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.977 -0.452 . . . . 0.0 111.761 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -93.22 20.2 7.23 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.698 0.399 . . . . 0.0 111.598 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.15 31.54 3.09 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.991 1.281 . . . . 0.0 113.562 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -99.59 -43.73 6.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.562 1.145 . . . . 0.0 108.396 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -95.06 135.33 36.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.69 42.51 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 119.999 1.272 . . . . 0.0 111.447 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.5 170.68 27.65 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.383 -2.287 . . . . 0.0 107.383 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -50.35 -55.16 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.971 0.885 . . . . 0.0 110.297 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.27 -22.02 50.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.436 1.094 . . . . 0.0 113.151 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -92.75 -24.57 18.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.078 0.951 . . . . 0.0 112.094 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.58 -58.43 0.49 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.6 ttt -54.31 -53.8 48.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.671 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -55.44 -47.91 75.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.814 0.846 . . . . 0.0 109.552 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.0 m -52.36 -53.71 41.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.034 0.934 . . . . 0.0 109.11 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.38 98.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.812 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.76 -60.07 4.42 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.086 0.403 . . . . 0.0 110.781 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.24 -31.83 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.802 -0.561 . . . . 0.0 111.081 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.12 -24.58 59.3 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.403 -0.81 . . . . 0.0 112.044 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -75.89 -7.39 54.42 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.878 0.763 . . . . 0.0 112.229 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.64 -169.32 1.68 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.863 1.265 . . . . 0.0 111.173 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -149.22 158.36 44.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.683 1.193 . . . . 0.0 107.951 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -40.46 -49.13 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -51.97 -53.64 39.04 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 122.028 0.918 . . . . 0.0 109.97 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.16 -48.5 81.28 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.221 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.5 mt -55.48 -50.87 68.77 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.487 1.115 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -58.87 -45.88 89.12 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.95 76.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.31 -50.06 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.97 -51.34 69.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.032 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.41 -52.21 47.97 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.612 0.365 . . . . 0.0 110.752 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -52.84 -62.45 1.64 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.176 0.991 . . . . 0.0 110.442 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.48 -22.66 66.42 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -87.17 11.46 13.97 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.099 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -137.98 43.78 2.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.422 -1.864 0 C-N-CA 127.459 2.304 . . . . 0.0 105.844 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.856 0 N-CA-C 107.388 -2.285 . . . . 0.0 107.388 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.63 -47.9 19.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.969 1.707 . . . . 0.0 111.949 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.96 -35.89 16.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.475 1.11 . . . . 0.0 112.914 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.44 -47.84 6.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -44.6 -43.68 8.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.805 1.242 . . . . 0.0 112.198 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -42.06 -38.77 1.75 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -79.63 -41.71 26.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.863 0.756 . . . . 0.0 110.705 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.57 -30.98 33.74 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.517 2.327 . . . . 0.0 112.031 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.02 -38.86 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.844 1.258 . . . . 0.0 110.157 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.26 -41.94 3.08 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.053 0.835 . . . . 0.0 112.773 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 m -111.42 -45.65 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.261 1.03 . . . . 0.0 110.699 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -87.16 -4.04 59.09 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.67 -178.09 32.83 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 120.837 -1.165 . . . . 0.0 111.1 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -51.27 65.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -157.95 76.75 0.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.749 0.819 . . . . 0.0 108.803 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.65 -27.2 0.06 OUTLIER Glycine 0 CA--C 1.523 0.585 0 C-N-CA 119.337 -1.411 . . . . 0.0 115.942 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t 67.74 85.44 0.14 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.879 1.339 . . . . 0.0 111.081 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -57.92 163.62 2.62 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.95 72.15 1.59 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -172.1 0.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.967 1.307 . . . . 0.0 111.558 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -23.89 111.71 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.714 2.006 . . . . 0.0 113.611 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.67 77.96 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 123.697 0.665 . . . . 0.0 113.369 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m 57.73 55.1 5.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.005 0.922 . . . . 0.0 109.798 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 142.42 29.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.71 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -54.33 121.64 32.79 Favored Pre-proline 0 N--CA 1.438 -1.051 0 C-N-CA 125.652 1.581 . . . . 0.0 107.813 173.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.01 131.73 47.73 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 121.037 1.158 . . . . 0.0 111.51 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 t -80.0 -32.17 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.487 1.115 . . . . 0.0 109.764 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -37.65 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.723 2.409 . . . . 0.0 109.952 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 38.38 96.3 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.32 -54.0 50.89 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.401 2.101 . . . . 0.0 107.448 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.56 145.08 4.05 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 127.98 2.705 . . . . 0.0 110.347 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.66 -44.37 37.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.067 0.947 . . . . 0.0 112.976 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -64.64 -51.75 60.96 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.524 0.602 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -51.19 -58.47 6.05 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-O 122.108 0.956 . . . . 0.0 108.68 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.4 mt -53.31 -61.54 2.23 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -43.9 -51.86 7.25 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.336 1.054 . . . . 0.0 111.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -57.23 -45.84 83.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.177 0.591 . . . . 0.0 111.081 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.36 -50.35 60.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.015 1.326 . . . . 0.0 111.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -41.74 83.07 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.713 1.597 . . . . 0.0 109.878 174.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.27 -43.27 99.15 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.36 -57.81 3.61 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 128.168 2.794 . . . . 0.0 111.404 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -66.4 -53.52 34.95 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 109.865 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.25 56.71 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.181 0.592 . . . . 0.0 111.614 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.91 10.62 4.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.998 0.919 . . . . 0.0 111.89 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.58 38.69 14.78 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 125.434 1.492 . . . . 0.0 112.21 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -125.89 -49.02 1.61 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.853 0.461 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -78.49 56.49 1.79 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.761 -0.587 . . . . 0.0 111.472 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.11 179.95 20.98 Favored Glycine 0 CA--C 1.523 0.569 0 O-C-N 121.509 -0.744 . . . . 0.0 112.76 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.45 -177.52 47.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 44.71 -100.45 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.109 1.764 . . . . 0.0 112.5 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -56.5 -28.87 60.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.65 0.78 . . . . 0.0 112.24 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -90.89 2.17 56.4 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.697 1.199 . . . . 0.0 111.777 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.08 79.64 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.718 0.69 . . . . 0.0 112.674 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -57.94 -57.62 11.99 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.714 0.769 . . . . 0.0 109.524 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.2 ttp -53.56 -49.58 67.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.513 1.525 . . . . 0.0 109.684 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.6 m -51.93 -57.77 8.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.136 0.975 . . . . 0.0 109.529 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -39.67 81.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.56 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.68 18.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.1 -27.4 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.594 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -57.48 -29.17 64.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.969 0.804 . . . . 0.0 111.05 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.56 -11.24 59.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.062 0.545 . . . . 0.0 112.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.32 -158.53 0.48 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.383 1.473 . . . . 0.0 109.783 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 m -143.97 -86.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.891 -0.506 . . . . 0.0 112.082 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -144.02 -54.36 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.828 0.451 . . . . 0.0 110.288 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -45.75 -51.92 11.86 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.896 1.679 . . . . 0.0 109.305 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -53.74 -54.4 38.65 Favored 'General case' 0 N--CA 1.426 -1.64 0 C-N-CA 128.357 2.663 . . . . 0.0 110.361 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.82 -49.01 78.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.468 0.707 . . . . 0.0 110.46 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.47 -47.3 86.05 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.35 80.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.11 -43.72 73.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.27 73.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.74 -50.36 55.68 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.379 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -47.76 -61.48 1.93 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.229 0.922 . . . . 0.0 110.266 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 mtm -65.29 -20.76 66.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.395 1.078 . . . . 0.0 113.328 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -90.47 2.5 55.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.261 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -120.69 38.71 3.95 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -175.092 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.846 0 CA-C-O 122.453 1.029 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.35 -59.42 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 110.75 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.88 50.4 1.97 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 111.241 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.45 -55.74 0.35 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 129.86 3.264 . . . . 0.0 105.812 170.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -42.25 -41.03 2.61 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 125.157 1.383 . . . . 0.0 112.191 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -37.85 -42.05 0.57 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.132 1.373 . . . . 0.0 112.856 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -70.68 -47.72 58.42 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.273 0.558 . . . . 0.0 110.829 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -57.71 -36.16 71.62 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.973 2.109 . . . . 0.0 109.8 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -48.22 -36.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 123.224 0.61 . . . . 0.0 109.939 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.66 -34.43 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.21 -0.772 . . . . 0.0 112.518 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -38.53 4.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.254 1.027 . . . . 0.0 111.741 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -83.22 -22.02 33.24 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.84 -171.98 54.71 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.221 0.608 . . . . 0.0 111.727 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -83.96 48.38 1.45 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.67 0.788 . . . . 0.0 111.236 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.79 47.77 0.49 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 127.126 2.298 . . . . 0.0 113.095 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -106.05 -13.08 15.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.973 1.709 . . . . 0.0 115.031 -170.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.98 153.17 30.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 119.249 0.931 . . . . 0.0 112.884 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.35 67.74 3.35 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 126.28 24.5 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.224 1.01 . . . . 0.0 109.366 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.3 mtp 46.47 33.91 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.675 1.19 . . . . 0.0 112.139 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.22 -133.29 11.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -62.57 97.01 0.09 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.308 1.043 . . . . 0.0 111.871 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.95 147.67 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.645 1.178 . . . . 0.0 108.727 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -60.69 122.3 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.91 91.24 0.63 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.558 1.505 . . . . 0.0 109.146 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -23.4 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 C-N-CA 129.291 3.036 . . . . 0.0 113.971 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 26.63 -92.88 0.01 OUTLIER 'General case' 0 C--N 1.344 0.335 0 O-C-N 126.699 2.499 . . . . 0.0 108.871 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.52 70.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-O 118.59 -1.117 . . . . 0.0 110.44 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -44.96 -53.26 7.87 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.821 1.296 . . . . 0.0 108.783 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.09 138.14 2.36 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 129.261 3.315 . . . . 0.0 107.912 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.74 -49.42 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.151 1.381 . . . . 0.0 113.155 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -58.95 -53.13 61.84 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.196 0.998 . . . . 0.0 110.082 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -56.9 -53.85 53.21 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.799 1.239 . . . . 0.0 109.396 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 mt -54.78 -60.69 3.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.783 -1.098 . . . . 0.0 108.528 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.25 -56.94 3.76 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 124.481 1.112 . . . . 0.0 111.372 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.55 -48.69 62.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.764 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -52.76 55.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.182 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -62.08 -33.13 73.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.365 1.438 . . . . 0.0 111.215 178.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.45 -50.25 70.48 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.16 30.95 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.796 1.188 . . . . 0.0 110.784 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.23 -54.32 39.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.129 0.972 . . . . 0.0 110.439 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.43 77.64 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.169 0.588 . . . . 0.0 111.407 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.92 14.62 14.74 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.148 1.356 . . . . 0.0 111.402 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -44.33 24.83 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -95.6 135.39 37.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.9 -164.88 27.42 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.47 143.92 6.59 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.131 0.872 . . . . 0.0 111.641 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 47.54 -98.33 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.33 1.852 . . . . 0.0 112.391 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -61.51 -41.14 96.86 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.635 0.731 . . . . 0.0 109.578 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -80.74 77.05 7.62 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 -64.83 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.904 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 tpp -53.94 -54.18 42.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.496 0.665 . . . . 0.0 109.207 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 ttp -50.5 -53.05 32.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.486 1.114 . . . . 0.0 109.532 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -50.05 -53.52 26.38 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.419 1.088 . . . . 0.0 110.503 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -38.33 90.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.772 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.92 -56.13 26.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 109.794 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.97 -25.83 37.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.612 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.71 -25.3 62.77 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.465 1.029 . . . . 0.0 109.826 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -74.1 -23.73 59.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.365 0.53 . . . . 0.0 111.628 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 132.86 37.58 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.245 1.018 . . . . 0.0 110.921 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.09 164.81 26.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.018 1.327 . . . . 0.0 110.748 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -49.67 -47.08 50.38 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.394 -0.816 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -60.89 -46.32 91.07 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.107 0.479 . . . . 0.0 110.083 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.28 -49.18 76.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -57.98 -53.04 62.7 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -54.04 -48.59 70.37 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.375 0.607 . . . . 0.0 109.736 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.53 70.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -48.99 59.04 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.39 34.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.063 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.2 -50.33 69.65 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.606 0.362 . . . . 0.0 111.364 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.8 -57.85 9.37 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.169 0.588 . . . . 0.0 110.404 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.1 mtm -60.46 -34.11 73.53 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 121.865 -0.522 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -66.46 3.41 0.96 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.983 -1.698 . . . . 0.0 113.229 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -139.65 49.59 1.79 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.304 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -173.233 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.798 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.09 -50.11 67.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.717 0.807 . . . . 0.0 111.525 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.38 81.65 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.583 0.23 . . . . 0.0 111.044 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.16 -45.13 91.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.916 0.886 . . . . 0.0 110.81 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.83 -27.71 65.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -44.75 -54.46 6.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.652 1.181 . . . . 0.0 112.857 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -66.52 -41.29 89.02 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.147 0.975 . . . . 0.0 111.447 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.13 -38.32 76.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 128.029 2.531 . . . . 0.0 110.768 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 C-N-CA 123.769 0.827 . . . . 0.0 110.181 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.16 -35.6 26.96 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.373 -0.681 . . . . 0.0 112.951 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -109.44 -29.24 8.52 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.144 0.972 . . . . 0.0 112.341 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -95.07 -29.86 14.37 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.87 -172.41 38.68 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -75.51 0.09 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.846 -0.796 . . . . 0.0 109.138 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.18 52.8 2.28 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.294 1.438 . . . . 0.0 109.975 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 21.18 51.36 0.01 OUTLIER Glycine 0 CA--C 1.536 1.377 0 C-N-CA 129.447 3.403 . . . . 0.0 116.956 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -122.79 -17.01 6.97 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -68.81 150.41 47.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.044 1.747 . . . . 0.0 110.564 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 128.39 36.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.3 -135.86 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mtp -74.16 70.36 1.59 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.233 -0.917 . . . . 0.0 108.624 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.77 -172.75 42.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -48.87 117.28 2.0 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.415 1.486 . . . . 0.0 111.83 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.18 141.41 32.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.165 0.986 . . . . 0.0 108.373 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 120.21 47.07 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.56 140.48 65.03 Favored 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 121.384 1.389 . . . . 0.0 111.234 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 t -77.96 -28.62 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -35.58 105.27 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.473 1.509 . . . . 0.0 111.331 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.25 45.22 15.72 Favored Glycine 0 N--CA 1.437 -1.26 0 C-N-CA 127.213 2.339 . . . . 0.0 114.928 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.7 -169.51 0.12 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.283 2.041 . . . . 0.0 108.136 171.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.76 124.67 7.38 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.5 -46.25 1.69 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.137 1.375 . . . . 0.0 113.261 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -65.14 -46.43 80.96 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.8 0.727 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.63 -54.29 48.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.73 -65.04 0.63 Allowed 'General case' 0 N--CA 1.428 -1.546 0 C-N-CA 125.723 1.609 . . . . 0.0 108.877 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -36.79 -60.97 0.57 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.148 1.779 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -53.15 -53.46 50.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.056 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.75 -51.56 68.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.453 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.26 77.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 121.167 1.803 . . . . 0.0 110.043 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.29 -45.69 93.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.957 0.798 . . . . 0.0 109.482 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.55 -47.78 81.56 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.584 1.088 . . . . 0.0 111.527 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -59.26 -56.09 26.51 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.469 1.108 . . . . 0.0 108.971 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.85 66.71 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.029 0.532 . . . . 0.0 110.756 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.66 -32.55 72.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.999 0.92 . . . . 0.0 111.069 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 20.63 41.89 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.961 0.791 . . . . 0.0 111.444 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -91.41 -65.39 1.01 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -74.17 71.76 1.68 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.54 -142.7 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.26 127.88 3.57 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.067 0.841 . . . . 0.0 112.024 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 40.82 -103.74 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.276 2.231 . . . . 0.0 112.997 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -50.21 -35.89 28.41 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.21 1.004 . . . . 0.0 112.044 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -72.11 -8.72 56.23 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.871 0.868 . . . . 0.0 112.57 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.34 86.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.119 0.872 . . . . 0.0 111.347 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.77 -53.56 57.04 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.8 ttp -52.05 -50.06 62.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.849 0.86 . . . . 0.0 110.013 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -46.52 -53.34 11.49 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.675 0.79 . . . . 0.0 109.8 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -41.43 98.2 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.437 0.562 . . . . 0.0 110.426 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.15 73.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.433 0.56 . . . . 0.0 110.591 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.3 -30.33 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.825 -0.547 . . . . 0.0 110.765 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -25.55 35.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.905 0.775 . . . . 0.0 111.749 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.39 -23.88 67.44 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 117.965 0.348 . . . . 0.0 111.806 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -173.92 3.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.478 1.911 . . . . 0.0 111.208 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 m -161.62 175.56 11.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.615 2.366 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -38.08 -59.34 0.86 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -54.02 -48.83 70.08 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.851 0.75 . . . . 0.0 111.42 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.76 -44.82 88.82 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 mt -58.6 -52.23 66.56 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 123.981 0.913 . . . . 0.0 109.349 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -57.06 -53.19 60.88 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.171 0.588 . . . . 0.0 109.474 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.33 81.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.71 -45.68 67.69 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.09 -52.78 57.51 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.655 0.207 . . . . 0.0 110.596 173.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -54.99 -51.04 67.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.891 0.476 . . . . 0.0 110.425 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -55.7 -62.96 1.34 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.409 0.683 . . . . 0.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 mtm -55.7 -31.98 62.92 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.791 1.236 . . . . 0.0 112.969 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -62.0 -11.22 12.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.615 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -137.48 53.64 1.86 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.267 34.3 tp . . . . . 0 N--CA 1.432 -1.333 0 CA-C-O 115.495 -2.193 . . . . 0.0 107.895 -173.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.194 0.438 . . . . 0.0 114.194 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.16 -53.65 46.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.197 0.498 . . . . 0.0 111.467 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.0 -31.72 61.25 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.356 0.662 . . . . 0.0 111.446 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -77.33 -57.07 4.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -51.01 -33.91 27.05 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.323 1.449 . . . . 0.0 113.767 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -21.29 9.56 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -22.44 25.45 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.962 1.305 . . . . 0.0 111.929 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 m -91.26 -32.87 15.58 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.181 1.792 . . . . 0.0 111.823 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -53.82 159.91 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.306 0.574 . . . . 0.0 110.034 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.27 -54.56 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.96 -59.78 2.57 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -61.37 -34.41 75.27 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.507 1.923 . . . . 0.0 112.564 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.2 -137.42 13.66 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.5 -62.79 1.25 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -67.81 -41.37 83.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.803 0.841 . . . . 0.0 110.947 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.1 62.33 0.41 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 125.334 1.445 . . . . 0.0 109.675 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -107.15 -30.92 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.16 1.784 . . . . 0.0 114.106 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -75.72 132.2 40.35 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -171.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 72.45 5.07 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 169.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -105.28 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.931 2.092 . . . . 0.0 113.916 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.0 mtt -70.8 77.56 0.62 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.335 -0.853 . . . . 0.0 109.636 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.36 -173.83 46.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.86 0.743 . . . . 0.0 111.246 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -64.89 66.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.439 1.895 . . . . 0.0 113.626 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.98 130.97 35.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.732 1.213 . . . . 0.0 110.055 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -62.11 133.08 94.01 Favored Pre-proline 0 C--N 1.345 0.381 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -60.13 141.9 97.17 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 N-CA-C 108.635 -1.333 . . . . 0.0 108.635 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.29 -38.35 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.553 -174.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -31.54 89.45 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.677 2.391 . . . . 0.0 112.579 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.32 48.08 2.82 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.253 1.406 . . . . 0.0 114.333 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.299 5.3 pt20 -57.95 -27.02 63.03 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.855 1.828 . . . . 0.0 112.547 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.91 135.04 1.75 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 126.813 2.149 . . . . 0.0 108.592 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.98 92.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.6 2.2 . . . . 0.0 110.728 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -47.64 81.79 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -48.07 -59.06 3.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.983 1.713 . . . . 0.0 109.231 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.11 -58.26 9.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.83 1.252 . . . . 0.0 109.385 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -41.72 -60.3 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.671 1.123 . . . . 0.0 111.506 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.21 -45.43 61.89 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.174 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -69.6 -45.83 67.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -45.95 76.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 121.045 1.748 . . . . 0.0 109.27 172.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.47 -41.59 90.07 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.58 -63.03 3.3 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 127.954 2.692 . . . . 0.0 110.644 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.48 -52.67 64.64 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.205 1.402 . . . . 0.0 110.036 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.13 69.42 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.453 0.701 . . . . 0.0 111.569 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.48 -33.62 71.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.76 -4.76 61.59 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 124.027 0.822 . . . . 0.0 112.285 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 p -73.95 -60.04 2.44 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -74.31 76.43 1.85 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.653 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.77 -171.44 39.65 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.97 148.05 6.88 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.515 1.055 . . . . 0.0 111.888 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 48.81 -101.03 0.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.54 1.936 . . . . 0.0 111.829 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -57.08 -42.38 80.58 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.536 1.134 . . . . 0.0 109.837 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -83.78 76.89 9.96 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.77 -68.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.273 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -53.51 -54.37 38.16 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -51.11 -54.19 27.37 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.38 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 m -50.4 -54.26 23.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.675 0.79 . . . . 0.0 111.023 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -36.98 84.59 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.6 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -58.92 6.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.779 0.718 . . . . 0.0 110.123 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.81 -32.5 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.065 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.04 -27.82 6.12 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.198 0.908 . . . . 0.0 112.728 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -62.78 -32.0 73.08 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.067 0.849 . . . . 0.0 111.488 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.23 127.36 32.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.131 1.372 . . . . 0.0 110.774 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 t -88.39 -175.03 4.85 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.37 -54.03 15.42 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -174.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.04 -57.88 2.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.472 1.109 . . . . 0.0 111.21 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -62.58 -47.65 82.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 125.771 1.629 . . . . 0.0 112.281 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.15 -48.17 79.36 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -60.52 -51.18 70.55 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.54 -55.93 22.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.74 -52.28 49.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.212 0.32 . . . . 0.0 110.394 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.16 -54.52 38.61 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.102 0.561 . . . . 0.0 111.545 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.05 -55.76 27.35 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.167 0.587 . . . . 0.0 110.742 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -57.83 -33.38 68.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.066 0.947 . . . . 0.0 112.103 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 m -85.55 23.14 1.42 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.386 1.074 . . . . 0.0 112.214 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -146.24 37.12 1.02 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.428 -1.56 0 C-N-CA 128.735 2.814 . . . . 0.0 106.623 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.66 -50.51 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.923 1.689 . . . . 0.0 113.056 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.53 86.75 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-O 120.622 0.249 . . . . 0.0 111.07 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -66.06 -50.4 64.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.266 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -42.83 -44.43 4.46 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -47.66 -34.52 8.2 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.201 1.401 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -69.54 -43.92 71.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.892 0.853 . . . . 0.0 110.543 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.29 -31.7 72.92 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 126.046 1.738 . . . . 0.0 110.953 -173.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -46.13 -37.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.638 0.775 . . . . 0.0 109.519 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.61 -38.28 7.26 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.428 1.013 . . . . 0.0 113.122 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 m -111.04 -31.75 7.02 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.313 1.056 . . . . 0.0 111.638 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.51 -4.07 32.08 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.87 165.37 31.2 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 121.182 -0.949 . . . . 0.0 112.822 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.35 -52.92 7.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.654 1.182 . . . . 0.0 111.853 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -108.49 43.88 1.19 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.226 1.011 . . . . 0.0 112.987 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.6 27.96 2.27 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.485 1.993 . . . . 0.0 114.731 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -83.77 -62.61 1.53 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.879 1.672 . . . . 0.0 113.8 -171.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -58.19 142.01 48.77 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 143.76 56.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.63 -128.55 0.08 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.517 0.727 . . . . 0.0 110.131 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 84.5 mmm -69.91 76.56 0.47 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.198 0.599 . . . . 0.0 110.639 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.51 -161.22 23.92 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.035 0.826 . . . . 0.0 112.02 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -62.07 70.88 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.739 2.015 . . . . 0.0 113.809 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.49 134.15 34.56 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.753 1.221 . . . . 0.0 109.031 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 134.31 96.01 Favored Pre-proline 0 C--N 1.343 0.283 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 172.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -58.21 140.04 92.76 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 N-CA-C 108.415 -1.417 . . . . 0.0 108.415 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.97 -37.27 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 118.954 -0.545 . . . . 0.0 109.711 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -35.82 95.96 0.01 OUTLIER 'General case' 0 C--N 1.343 0.323 0 C-N-CA 127.011 2.124 . . . . 0.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.86 49.56 1.98 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.502 1.525 . . . . 0.0 115.215 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.303 5.4 pt20 -58.57 -26.6 63.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.274 1.537 . . . . 0.0 110.534 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.09 134.1 1.83 Allowed Glycine 0 C--O 1.218 -0.874 0 C-N-CA 128.575 2.988 . . . . 0.0 108.232 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.09 73.11 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.955 2.877 . . . . 0.0 111.162 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.66 -53.43 47.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -62.45 1.39 Allowed 'General case' 0 C--N 1.339 0.133 0 C-N-CA 125.069 1.348 . . . . 0.0 108.467 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 mt -48.19 -67.3 0.28 Allowed 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 126.743 2.017 . . . . 0.0 109.22 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -44.58 -50.87 9.47 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.906 0.776 . . . . 0.0 111.888 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -57.83 -48.21 80.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.202 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.51 -49.52 66.25 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.259 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.04 87.08 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.777 1.626 . . . . 0.0 110.274 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.98 -43.72 94.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.756 0.707 . . . . 0.0 109.583 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.25 -53.43 23.79 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 125.319 1.438 . . . . 0.0 110.327 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -62.59 -55.0 31.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.571 0.748 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.1 70.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.552 0.341 . . . . 0.0 111.851 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.43 -40.5 85.49 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.88 12.6 25.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.63 1.11 . . . . 0.0 111.537 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.94 45.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -98.49 151.11 20.96 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.66 -155.7 26.51 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 109.089 -1.605 . . . . 0.0 109.089 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 121.55 3.66 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.144 0.878 . . . . 0.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 33.44 -91.44 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.166 2.587 . . . . 0.0 114.698 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -50.81 -33.77 24.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.735 1.214 . . . . 0.0 112.458 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -87.63 6.91 32.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.541 1.137 . . . . 0.0 112.065 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.78 11.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.767 1.167 . . . . 0.0 112.075 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.3 ttt -57.48 -45.49 84.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 tpt -51.31 -54.75 23.1 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.31 1.444 . . . . 0.0 109.469 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.9 m -54.73 -54.36 42.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.192 0.997 . . . . 0.0 109.652 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -44.63 76.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.23 -0.414 . . . . 0.0 110.786 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -59.5 5.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.839 0.29 . . . . 0.0 110.415 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.98 -31.59 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.137 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.31 -23.63 57.1 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.754 0.706 . . . . 0.0 111.614 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.96 -11.92 60.05 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.635 0.652 . . . . 0.0 112.149 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.59 177.49 6.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.936 1.294 . . . . 0.0 110.003 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -124.88 158.17 34.16 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.132 0.973 . . . . 0.0 109.694 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.01 -45.14 1.86 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.067 1.747 . . . . 0.0 113.983 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -57.88 -50.49 73.14 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 109.506 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.6 -47.62 81.65 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.203 1.001 . . . . 0.0 108.517 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.43 -52.85 63.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.99 0.916 . . . . 0.0 111.563 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -56.52 -46.37 80.63 Favored 'General case' 0 N--CA 1.457 -0.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.52 75.98 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.85 -50.15 58.19 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -52.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.36 -52.48 61.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.338 0.255 . . . . 0.0 110.981 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -53.1 -58.19 7.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.42 0.688 . . . . 0.0 110.24 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.7 mtm -63.7 -22.59 66.98 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -84.57 13.4 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.579 0.751 . . . . 0.0 111.772 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -147.21 48.91 1.12 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.253 1.268 0 CA-C-O 116.499 -1.715 . . . . 0.0 106.373 -171.417 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.788 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.64 30.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.048 0.939 . . . . 0.0 111.342 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.41 71.53 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 122.895 0.478 . . . . 0.0 110.583 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.73 -51.09 71.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.333 0.653 . . . . 0.0 110.268 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -47.33 -44.67 23.89 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -47.23 -42.97 21.35 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.867 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -66.46 -12.7 58.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -95.82 -19.64 19.45 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.26 1.824 . . . . 0.0 111.308 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.95 152.52 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.88 -51.25 1.33 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.49 -50.06 7.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.13 -28.99 27.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.677 0.791 . . . . 0.0 112.29 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 -160.4 34.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.92 -52.38 42.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.223 1.009 . . . . 0.0 113.408 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.3 66.76 1.19 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -173.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.43 31.89 14.4 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.38 -48.44 14.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 127.398 2.279 . . . . 0.0 113.399 -170.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -79.45 141.13 37.06 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.337 0.589 . . . . 0.0 110.865 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 78.12 0.97 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.29 132.71 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 128.397 2.679 . . . . 0.0 114.095 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.19 -75.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.681 1.592 . . . . 0.0 109.581 -170.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.16 118.28 0.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m 66.5 76.64 0.3 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 122.206 1.003 . . . . 0.0 110.449 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.53 140.99 24.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.516 2.326 . . . . 0.0 105.105 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -64.76 114.99 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 117.764 -1.112 . . . . 0.0 108.517 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.2 122.33 10.45 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.234 1.956 . . . . 0.0 111.716 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.63 -40.38 3.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 C-N-CA 124.97 1.308 . . . . 0.0 114.307 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -28.16 88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.578 1.951 . . . . 0.0 112.857 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.03 3.23 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.444 1.497 . . . . 0.0 116.006 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -48.8 -55.64 11.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 123.257 1.503 . . . . 0.0 107.781 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.43 146.7 4.81 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 130.451 3.881 . . . . 0.0 106.453 172.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.64 -36.81 72.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.377 1.088 . . . . 0.0 112.112 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.71 -56.89 15.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -50.85 -56.62 11.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.167 1.387 . . . . 0.0 110.342 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.76 -49.85 75.2 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 126.458 1.903 . . . . 0.0 110.491 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -59.11 -47.95 83.39 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.036 0.835 . . . . 0.0 110.314 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.29 -55.61 31.63 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.762 0.425 . . . . 0.0 111.39 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.57 -46.28 89.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.625 0.77 . . . . 0.0 111.2 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -64.74 -39.62 93.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.109 0.413 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.18 -41.32 99.19 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -52.15 37.59 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 124.984 1.278 . . . . 0.0 110.153 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.31 -55.64 26.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.861 0.864 . . . . 0.0 109.689 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.04 60.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.905 -0.497 . . . . 0.0 112.264 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -88.41 19.36 3.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.945 0.898 . . . . 0.0 111.866 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.67 33.72 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.591 1.091 . . . . 0.0 113.395 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.4 m -102.4 -48.27 4.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.989 1.316 . . . . 0.0 109.099 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -93.27 136.75 33.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.37 -160.8 33.7 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 119.502 1.046 . . . . 0.0 111.221 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.39 179.07 31.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.159 1.383 . . . . 0.0 112.485 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -54.2 -35.64 62.6 Favored 'General case' 0 C--O 1.228 -0.051 0 C-N-CA 123.555 0.742 . . . . 0.0 112.037 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -68.18 -20.24 64.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.02 -45.74 32.32 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.639 1.109 . . . . 0.0 113.393 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 ttm -53.93 -60.14 3.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.364 0.666 . . . . 0.0 109.611 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.61 -51.06 61.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.215 1.406 . . . . 0.0 109.862 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -58.41 5.39 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.717 1.207 . . . . 0.0 109.481 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.28 84.44 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.623 -0.673 . . . . 0.0 111.356 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.29 70.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.333 0.515 . . . . 0.0 110.056 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.87 -27.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 119.295 -0.383 . . . . 0.0 111.481 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -52.64 -25.86 11.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.1 0.864 . . . . 0.0 111.942 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -67.35 -16.14 64.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.44 174.94 6.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.739 1.615 . . . . 0.0 112.26 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -144.57 174.12 11.23 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.997 2.119 . . . . 0.0 107.024 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -45.61 -48.38 14.66 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 116.617 2.081 . . . . 0.0 116.617 -168.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.35 -52.95 59.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.592 1.087 . . . . 0.0 109.021 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.74 -46.28 89.62 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.338 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.77 -55.6 32.17 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.407 0.549 . . . . 0.0 109.838 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -54.72 -48.75 72.12 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.582 0.753 . . . . 0.0 109.565 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.32 -31.58 72.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 118.398 -0.81 . . . . 0.0 112.481 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -49.28 74.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -57.0 14.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.264 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -50.42 -46.57 56.47 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.721 0.408 . . . . 0.0 111.744 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -60.66 -56.35 22.29 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -57.72 -26.32 61.61 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.54 0.736 . . . . 0.0 112.322 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -83.02 2.17 36.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.91 1.284 . . . . 0.0 112.901 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -137.09 45.52 2.23 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.429 -1.51 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -171.097 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.05 79.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.824 0.85 . . . . 0.0 109.974 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.41 -50.09 42.05 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.336 0.654 . . . . 0.0 110.968 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.95 -53.48 56.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -47.02 -41.33 16.36 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.249 1.02 . . . . 0.0 113.592 -175.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -39.73 -39.58 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.867 0.729 . . . . 0.0 112.064 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -50.03 63.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.363 1.078 . . . . 0.0 110.836 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.28 -27.78 68.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 127.355 2.262 . . . . 0.0 111.025 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.7 mt -48.38 -37.33 7.6 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.87 -30.76 22.85 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 119.093 -0.837 . . . . 0.0 113.02 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -45.82 3.93 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.563 1.182 . . . . 0.0 110.827 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -87.97 -18.19 29.62 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.46 162.23 37.57 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 119.132 0.878 . . . . 0.0 111.941 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.13 -57.69 4.28 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.458 1.103 . . . . 0.0 112.152 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.64 41.52 1.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.957 0.503 . . . . 0.0 110.691 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.01 34.37 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.625 2.06 . . . . 0.0 115.422 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.5 -22.0 21.56 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.264 1.426 . . . . 0.0 114.406 -172.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.79 108.04 4.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.692 0.678 . . . . 0.0 112.158 -175.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.0 3.6 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.43 -119.48 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 126.215 1.806 . . . . 0.0 113.484 -172.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.0 mtt -46.66 127.87 9.98 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.101 0.864 . . . . 0.0 112.077 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.12 33.73 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.944 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 58.78 51.65 7.39 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.681 1.24 . . . . 0.0 110.825 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.61 135.69 22.6 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.911 1.284 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -56.2 112.9 4.93 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 170.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.71 106.86 0.54 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.068 1.845 . . . . 0.0 112.543 -170.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 t -22.23 -53.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 129.509 3.124 . . . . 0.0 113.613 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -17.18 85.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.065 2.546 . . . . 0.0 112.811 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.86 50.06 39.35 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 117.52 -1.711 . . . . 0.0 115.619 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.95 -51.7 55.32 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.572 2.186 . . . . 0.0 108.626 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.07 135.01 2.03 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 128.459 2.933 . . . . 0.0 108.374 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.66 -41.81 10.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.923 1.861 . . . . 0.0 111.438 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -57.05 -57.56 12.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.339 0.656 . . . . 0.0 110.37 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.75 -58.38 7.78 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.739 1.615 . . . . 0.0 108.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.3 mt -48.62 -64.46 0.8 Allowed 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 125.8 1.64 . . . . 0.0 109.752 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -47.31 -55.9 7.86 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 124.794 1.237 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -51.74 -49.59 62.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.03 -45.06 67.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.203 0.91 . . . . 0.0 111.906 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.305 0.0 OUTLIER -62.12 -36.31 81.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 120.549 1.522 . . . . 0.0 110.293 177.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.26 -44.99 86.35 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.5 -58.92 2.41 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 127.085 2.279 . . . . 0.0 111.436 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -67.15 -51.2 56.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.203 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -34.29 67.07 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.957 -0.465 . . . . 0.0 111.731 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.71 -10.58 59.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.412 1.085 . . . . 0.0 111.317 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.56 21.28 74.49 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.519 -0.601 . . . . 0.0 112.112 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p -97.47 -53.31 3.49 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.17 133.61 41.41 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.4 -175.86 44.82 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.61 166.17 18.86 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.375 -2.29 . . . . 0.0 107.375 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -47.07 -60.43 2.47 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.468 1.134 . . . . 0.0 112.019 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.98 -27.48 52.97 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.2 0.6 . . . . 0.0 112.119 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -93.7 3.86 54.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.314 1.046 . . . . 0.0 111.862 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.75 26.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.628 1.558 . . . . 0.0 112.224 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -53.92 -53.33 54.14 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.096 0.958 . . . . 0.0 108.492 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 tpt -47.2 -55.99 7.52 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.666 1.987 . . . . 0.0 110.034 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -52.23 -56.37 15.14 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.486 0.715 . . . . 0.0 110.205 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -39.37 89.59 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.856 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.11 71.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.951 0.341 . . . . 0.0 110.247 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.85 -28.59 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -29.18 10.99 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 111.495 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.11 -25.38 67.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 140.6 31.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.083 1.353 . . . . 0.0 112.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -87.34 177.48 7.12 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.623 0.769 . . . . 0.0 109.966 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -55.71 -48.6 74.87 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -55.09 -50.74 68.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.421 1.088 . . . . 0.0 110.123 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.26 -53.56 56.94 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 125.093 1.357 . . . . 0.0 109.843 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.28 -48.45 65.29 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.396 1.478 . . . . 0.0 110.852 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -55.16 -55.17 34.26 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.88 75.75 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -52.96 55.62 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.63 -51.24 63.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -53.94 -50.15 67.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.801 0.441 . . . . 0.0 110.575 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -58.66 -63.92 1.11 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.63 0.729 . . . . 0.0 110.614 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.5 mtm -54.25 -25.47 23.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.1 t -61.44 -11.33 10.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.377 -1.297 . . . . 0.0 113.362 176.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -132.92 57.42 1.8 Allowed 'General case' 0 C--N 1.341 0.22 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 32.7 tp . . . . . 0 N--CA 1.433 -1.32 0 C-N-CA 125.166 1.386 . . . . 0.0 107.278 -173.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.429 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.51 -50.46 62.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.889 1.276 . . . . 0.0 111.541 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.28 46.88 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.82 0.848 . . . . 0.0 112.385 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -88.24 -50.82 6.11 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.03 -41.96 17.57 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 112.518 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pptp? -47.68 -31.13 4.35 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -47.03 17.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.794 0.838 . . . . 0.0 109.908 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 m -57.59 -36.15 71.34 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.986 1.714 . . . . 0.0 109.619 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 mt -45.93 -35.07 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.679 1.191 . . . . 0.0 110.993 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.56 -38.83 4.25 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.329 0.966 . . . . 0.0 112.01 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -104.83 -46.26 4.35 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -63.21 -12.63 29.84 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 41.92 99.56 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 118.852 0.751 . . . . 0.0 113.095 171.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 65.22 -69.75 0.1 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.825 1.65 . . . . 0.0 112.41 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.6 -47.41 85.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.59 1.156 . . . . 0.0 111.962 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.43 -17.52 9.62 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.244 0.926 . . . . 0.0 111.835 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 m -79.25 43.06 0.51 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.721 1.26 . . . . 0.0 112.942 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 178.22 8.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.681 0.753 . . . . 0.0 112.809 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.68 85.55 2.34 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 169.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -148.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.505 0.722 . . . . 0.0 110.68 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ptm -72.94 64.1 0.68 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.5 -172.85 18.74 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.593 1.568 . . . . 0.0 109.991 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -72.8 63.92 0.65 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.418 1.487 . . . . 0.0 109.743 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 130.05 38.99 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.088 0.955 . . . . 0.0 109.748 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -63.06 141.45 97.71 Favored Pre-proline 0 CA--C 1.532 0.28 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.41 138.79 56.62 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.076 1.184 . . . . 0.0 109.928 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -79.7 -32.63 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.513 0.725 . . . . 0.0 111.732 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -42.3 98.95 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.902 1.281 . . . . 0.0 111.404 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.14 48.51 46.54 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 115.969 1.147 . . . . 0.0 115.969 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -53.64 -47.64 70.11 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 123.418 1.58 . . . . 0.0 107.799 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.71 149.27 5.0 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 129.08 3.228 . . . . 0.0 109.591 173.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.21 69.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.933 0.866 . . . . 0.0 111.408 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -59.72 -55.68 31.28 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.499 1.12 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -52.76 -59.41 4.53 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 126.113 1.765 . . . . 0.0 109.416 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.14 -58.34 7.71 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.233 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.72 -57.36 4.32 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 119.147 0.885 . . . . 0.0 110.465 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.37 -50.32 40.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.672 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -51.14 68.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 117.494 -1.241 . . . . 0.0 111.846 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -43.61 71.24 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 121.472 1.942 . . . . 0.0 110.446 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -59.32 -49.19 78.77 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.39 -49.58 38.15 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.748 1.166 . . . . 0.0 111.481 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -64.2 -52.95 56.39 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.269 0.628 . . . . 0.0 109.352 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.48 62.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.399 0.68 . . . . 0.0 111.753 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -86.53 15.89 5.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.43 1.492 . . . . 0.0 111.419 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.23 35.36 14.29 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.941 1.258 . . . . 0.0 112.851 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -111.84 -59.85 1.93 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 109.809 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -78.25 72.62 4.79 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.09 -157.98 8.21 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.53 -153.58 24.83 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 108.419 -1.872 . . . . 0.0 108.419 -174.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.78 -79.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.906 0.883 . . . . 0.0 112.143 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -52.65 -37.03 57.87 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.235 1.016 . . . . 0.0 111.195 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -58.06 -25.05 60.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.213 1.805 . . . . 0.0 112.455 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.61 -53.02 12.36 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.635 1.107 . . . . 0.0 113.75 -176.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -50.44 73.0 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.83 -52.42 41.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.293 1.437 . . . . 0.0 109.649 177.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -51.92 -56.38 14.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.714 1.606 . . . . 0.0 108.586 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -45.42 89.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.774 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.58 61.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.973 0.352 . . . . 0.0 110.447 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 p -74.5 -28.5 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -49.89 -37.57 31.94 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.385 0.993 . . . . 0.0 111.195 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.59 -19.57 65.74 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.78 133.61 35.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.745 1.218 . . . . 0.0 110.666 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 t -84.74 167.27 16.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.162 0.585 . . . . 0.0 109.886 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.8 -42.84 12.68 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.073 0.949 . . . . 0.0 112.915 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -51.31 -55.96 15.6 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 122.809 1.29 . . . . 0.0 111.118 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.38 -44.77 93.79 Favored 'General case' 0 N--CA 1.424 -1.735 0 C-N-CA 126.696 1.998 . . . . 0.0 109.226 -177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.16 -52.18 61.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.167 0.587 . . . . 0.0 110.24 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -58.94 -47.8 83.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.76 84.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.63 -52.14 64.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.15 62.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.309 0.381 . . . . 0.0 110.669 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.51 -53.21 54.78 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.238 -0.288 . . . . 0.0 110.607 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -53.73 -55.97 21.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.542 0.737 . . . . 0.0 111.046 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtm -64.18 -20.7 66.19 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -89.44 8.95 28.25 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.966 0.907 . . . . 0.0 111.464 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 37.64 4.28 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.661 -1.978 . . . . 0.0 105.661 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.429 -1.521 0 C-N-CA 129.342 3.057 . . . . 0.0 103.533 -174.728 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 108.794 -1.722 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.71 76.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.085 1.354 . . . . 0.0 112.667 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.87 90.9 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.993 -0.442 . . . . 0.0 110.686 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.61 -43.31 97.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.644 1.178 . . . . 0.0 110.09 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -51.2 -21.91 2.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.54 1.136 . . . . 0.0 113.474 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -53.77 -40.12 65.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 120.519 -1.363 . . . . 0.0 109.982 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -87.82 36.51 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.333 0.653 . . . . 0.0 110.863 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -143.42 -33.31 0.44 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.419 1.888 . . . . 0.0 111.215 -173.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -45.73 156.75 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 125.655 1.582 . . . . 0.0 109.88 171.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.12 -57.38 4.99 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.23 -44.93 43.45 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.225 1.513 . . . . 0.0 107.141 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -93.19 6.15 49.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.566 0.746 . . . . 0.0 111.266 175.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 -111.05 3.25 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 107.659 -2.177 . . . . 0.0 107.659 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.25 25.19 3.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 172.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -159.26 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.36 19.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.786 0.708 . . . . 0.0 112.525 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -80.2 -23.56 40.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.461 1.131 . . . . 0.0 110.487 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.68 143.75 35.09 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.627 0.771 . . . . 0.0 110.893 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.66 23.16 2.75 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.99 0.516 . . . . 0.0 110.611 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 25.13 -135.78 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.585 3.154 . . . . 0.0 114.549 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.9 mmt -75.41 66.66 1.86 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.36 86.41 1.82 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 115.543 0.977 . . . . 0.0 115.543 171.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 51.74 43.24 30.11 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.68 141.9 56.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -59.28 122.5 64.17 Favored Pre-proline 0 N--CA 1.441 -0.888 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 172.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.14 136.23 53.51 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 121.648 1.565 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.2 t -90.07 -34.9 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.618 1.567 . . . . 0.0 111.484 -173.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -38.47 101.38 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.829 1.651 . . . . 0.0 109.719 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.52 47.08 45.54 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.618 1.407 . . . . 0.0 116.618 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -56.12 -54.17 48.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.481 1.61 . . . . 0.0 107.941 173.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.38 135.53 2.58 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 128.355 2.883 . . . . 0.0 109.865 174.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.12 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.019 1.727 . . . . 0.0 113.784 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -63.69 -52.78 59.09 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 123.748 0.819 . . . . 0.0 109.47 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -60.16 3.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 126.421 1.888 . . . . 0.0 108.0 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -52.88 -64.4 0.83 Allowed 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 127.331 2.252 . . . . 0.0 109.589 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -42.51 -52.97 4.53 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 124.694 1.198 . . . . 0.0 111.75 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -57.15 -47.79 80.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.137 0.273 . . . . 0.0 111.111 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -65.52 -52.5 52.13 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.595 -0.717 . . . . 0.0 112.517 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.28 80.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.013 1.279 . . . . 0.0 109.806 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.49 -43.22 99.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.5 63.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.302 0.953 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -58.9 -56.14 26.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.678 0.791 . . . . 0.0 109.371 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.27 75.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.73 0.412 . . . . 0.0 111.62 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.37 -38.02 89.51 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.652 0.781 . . . . 0.0 109.988 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.77 23.31 15.91 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.243 0.925 . . . . 0.0 111.23 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -95.36 -67.39 0.85 Allowed 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -74.12 73.12 1.72 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.21 -174.86 30.54 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.15 176.92 42.03 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -47.09 -53.17 13.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.161 0.984 . . . . 0.0 112.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -60.85 -24.35 65.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -89.11 -29.86 19.06 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.261 1.024 . . . . 0.0 110.771 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -20.78 -57.04 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.285 2.234 . . . . 0.0 116.173 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.1 mmt -56.02 -54.87 39.69 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 110.467 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.3 ttp -58.9 -47.92 83.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -48.99 -52.15 26.63 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.19 0.596 . . . . 0.0 110.082 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -41.26 89.05 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.95 -0.469 . . . . 0.0 110.611 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.8 -47.75 76.58 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.609 0.64 . . . . 0.0 110.31 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.77 -24.39 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.827 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -50.37 -36.54 32.87 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.839 1.199 . . . . 0.0 110.086 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -60.95 -28.9 69.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.276 1.03 . . . . 0.0 112.583 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 119.51 24.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.768 1.227 . . . . 0.0 111.408 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -83.04 -170.14 2.88 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.08 -53.23 53.42 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.9 -49.17 71.89 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.927 0.87 . . . . 0.0 110.336 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.25 -49.5 77.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.254 1.821 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.63 -50.32 70.49 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.212 0.605 . . . . 0.0 109.592 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.65 -41.52 95.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.189 0.196 . . . . 0.0 110.476 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.72 -45.0 80.1 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.34 -51.39 66.91 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.31 -47.58 81.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.526 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -51.27 -63.49 1.11 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 mtt -55.94 -33.67 64.94 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -65.85 -18.66 65.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.033 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -127.45 53.52 1.74 Allowed 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.257 43.1 tp . . . . . 0 N--CA 1.432 -1.351 0 CA-C-O 116.111 -1.899 . . . . 0.0 106.479 -170.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.831 0 CA-C-O 119.442 -0.643 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.54 60.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.749 1.275 . . . . 0.0 112.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.87 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.75 -50.61 69.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.13 1.372 . . . . 0.0 111.109 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -45.8 -33.86 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.851 1.661 . . . . 0.0 114.517 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -50.4 -37.37 37.25 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.663 0.385 . . . . 0.0 110.854 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -62.71 -22.97 66.91 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.3 1.04 . . . . 0.0 113.438 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -90.2 -25.85 20.41 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.297 1.439 . . . . 0.0 111.211 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.34 142.72 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 -45.55 1.29 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -173.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -94.08 -31.07 14.35 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 117.95 0.875 . . . . 0.0 109.498 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -110.15 -41.31 4.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.75 174.56 19.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -174.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.06 96.69 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.755 0.777 . . . . 0.0 109.702 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.45 -71.04 0.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.68 61.85 0.03 OUTLIER Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -129.32 -22.57 3.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -169.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -71.36 158.56 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 0.0 111.447 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.68 77.61 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.826 0.85 . . . . 0.0 110.508 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.55 136.2 17.15 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.355 0.662 . . . . 0.0 110.271 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 mtp 46.6 33.31 1.97 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.934 1.294 . . . . 0.0 112.176 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.23 -5.92 52.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.378 -1.234 . . . . 0.0 114.3 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -170.06 104.46 0.31 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.014 1.907 . . . . 0.0 109.341 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.44 144.15 15.37 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.42 139.61 94.85 Favored Pre-proline 0 C--O 1.234 0.247 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -64.31 141.7 76.18 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 N-CA-C 107.168 -1.897 . . . . 0.0 107.168 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 t -86.2 -35.16 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 124.017 0.927 . . . . 0.0 108.613 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -33.34 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 127.671 2.388 . . . . 0.0 109.375 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.28 51.52 6.29 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 126.24 1.876 . . . . 0.0 116.639 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.0 -55.54 29.8 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 123.416 1.579 . . . . 0.0 108.145 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.09 144.27 4.0 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 128.376 2.893 . . . . 0.0 107.692 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.81 95.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 120.244 2.022 . . . . 0.0 112.982 -175.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.45 -52.17 62.57 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -48.86 -60.26 2.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.815 1.646 . . . . 0.0 108.162 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.71 -70.31 0.09 Allowed 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.651 1.58 . . . . 0.0 109.211 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -39.87 -55.86 1.9 Allowed 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 124.515 1.126 . . . . 0.0 112.143 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.6 -44.06 85.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -72.11 -43.62 64.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.83 96.49 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 121.531 1.969 . . . . 0.0 109.003 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -59.89 -43.67 94.65 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.2 -61.32 3.62 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 128.268 2.842 . . . . 0.0 111.509 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.62 -52.5 63.11 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.385 1.474 . . . . 0.0 109.373 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.95 62.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.396 0.678 . . . . 0.0 111.16 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -73.53 -10.7 59.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.819 0.848 . . . . 0.0 111.967 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.14 28.48 73.6 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 123.777 0.703 . . . . 0.0 111.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 p -109.85 -49.99 3.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.099 0.96 . . . . 0.0 109.154 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -74.37 66.33 1.32 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.337 0.655 . . . . 0.0 109.784 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.35 -165.69 32.45 Favored Glycine 0 CA--C 1.521 0.456 0 O-C-N 120.883 -1.136 . . . . 0.0 112.401 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.65 47.08 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 29.44 -110.46 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 113.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.16 -34.94 15.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.981 1.312 . . . . 0.0 113.813 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -63.89 -26.17 68.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.79 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.63 -48.61 2.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.32 -54.78 41.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 109.853 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -57.39 -48.45 79.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.684 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -45.81 -55.62 6.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.821 0.848 . . . . 0.0 109.403 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -39.4 92.33 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.186 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.76 77.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.649 0.659 . . . . 0.0 110.862 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.06 -22.84 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.205 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -46.5 -35.31 5.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.173 1.389 . . . . 0.0 111.128 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -52.49 -34.69 50.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.869 0.468 . . . . 0.0 111.551 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.0 128.96 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.191 1.396 . . . . 0.0 111.272 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 p -79.18 -79.2 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.262 1.025 . . . . 0.0 112.218 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.57 -61.91 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 125.286 1.435 . . . . 0.0 109.313 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -50.01 -47.68 52.93 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-O 122.54 1.162 . . . . 0.0 108.383 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -56.17 -55.91 27.4 Favored 'General case' 0 N--CA 1.422 -1.843 0 C-N-CA 125.667 1.587 . . . . 0.0 110.958 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 mt -53.79 -49.33 68.54 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.23 1.012 . . . . 0.0 110.635 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.56 -44.71 89.78 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.0 79.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.01 -48.22 82.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.26 -61.32 2.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.209 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -42.92 -50.11 5.83 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.126 0.97 . . . . 0.0 112.776 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -47.75 -56.82 6.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.557 0.343 . . . . 0.0 110.752 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.8 mtm -74.13 -21.95 59.66 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -64.17 -30.74 71.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.116 0.871 . . . . 0.0 112.919 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -112.02 53.41 0.73 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 1.9 tp . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 105.539 -2.023 . . . . 0.0 105.539 -170.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.1 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.51 -42.38 32.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.737 1.215 . . . . 0.0 110.766 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.25 -48.0 46.1 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.706 0.803 . . . . 0.0 111.934 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.04 -48.02 47.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.215 1.406 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -45.36 -29.25 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.841 1.656 . . . . 0.0 114.66 -175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -44.33 -38.18 3.76 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.033 1.333 . . . . 0.0 112.24 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -65.61 -51.91 56.04 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 123.375 1.559 . . . . 0.0 110.807 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.21 -34.24 63.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 131.225 3.81 . . . . 0.0 111.306 -174.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -43.66 -40.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.683 175.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.8 -38.11 3.08 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.695 1.141 . . . . 0.0 113.578 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.4 m -114.35 -36.68 4.57 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.339 1.069 . . . . 0.0 111.975 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.16 -10.74 40.69 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.69 177.29 51.11 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.423 -0.798 . . . . 0.0 112.789 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.87 -55.88 7.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.916 1.287 . . . . 0.0 112.974 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -82.79 -80.97 0.16 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.02 36.24 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.807 2.146 . . . . 0.0 109.3 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -28.15 12.09 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.388 1.875 . . . . 0.0 115.9 -167.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -74.76 144.73 43.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.353 1.433 . . . . 0.0 111.108 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 108.6 4.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -178.35 0.97 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.994 0.517 . . . . 0.0 110.625 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mmt -37.92 129.25 1.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 113.458 -177.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.11 38.0 72.95 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.119 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 52.85 50.87 17.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.15 0.98 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.65 152.74 41.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -63.22 135.8 96.4 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.87 149.19 59.43 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 121.293 1.329 . . . . 0.0 108.73 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.29 -35.72 8.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.122 0.569 . . . . 0.0 111.041 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -47.29 105.4 0.07 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.49 1.116 . . . . 0.0 110.496 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.47 25.6 62.95 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 117.07 -1.961 . . . . 0.0 116.652 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -59.67 -50.68 72.92 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 121.981 2.891 . . . . 0.0 107.796 172.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.43 153.39 5.86 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 128.625 3.012 . . . . 0.0 109.977 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.4 80.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.576 0.751 . . . . 0.0 112.615 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -64.26 -53.15 53.55 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 123.717 0.807 . . . . 0.0 109.1 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -49.63 -60.73 2.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.999 1.72 . . . . 0.0 108.135 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.1 mt -54.52 -61.43 2.31 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.8 -52.14 6.87 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 120.025 1.284 . . . . 0.0 111.725 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -56.72 -50.85 70.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.491 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -60.94 -49.13 78.7 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.188 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -46.16 74.51 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 121.405 1.911 . . . . 0.0 109.669 176.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -60.68 -47.92 84.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.076 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.49 -47.96 56.03 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.572 1.082 . . . . 0.0 111.579 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -62.51 -52.26 64.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.18 64.63 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.903 0.774 . . . . 0.0 112.09 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -70.36 -12.46 61.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.034 1.334 . . . . 0.0 111.76 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.76 21.67 76.59 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 p -93.09 -61.91 1.48 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -79.05 65.82 4.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.19 -151.3 6.96 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.886 1.232 . . . . 0.0 111.371 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.92 107.39 0.58 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.316 0.96 . . . . 0.0 111.056 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.84 -101.18 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.495 1.918 . . . . 0.0 112.823 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -47.94 -37.9 15.43 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.691 1.197 . . . . 0.0 112.113 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -55.03 -22.35 15.35 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.86 1.264 . . . . 0.0 112.294 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.73 -39.84 38.61 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.633 0.651 . . . . 0.0 111.473 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.18 -46.39 87.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 109.609 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 ttm -59.07 -51.15 71.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.215 1.006 . . . . 0.0 108.753 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 m -46.78 -55.46 7.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.366 1.466 . . . . 0.0 109.068 175.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -46.89 81.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.826 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.65 3.44 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.018 0.372 . . . . 0.0 110.823 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.25 -34.98 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 111.689 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.23 -25.92 64.43 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.017 0.826 . . . . 0.0 111.492 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.15 -11.18 60.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.452 0.569 . . . . 0.0 111.867 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.29 141.44 30.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.008 1.323 . . . . 0.0 109.026 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -83.59 166.16 18.42 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 110.185 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.84 -40.67 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.177 -0.952 . . . . 0.0 111.822 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.44 -55.46 25.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.967 0.889 . . . . 0.0 109.549 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -59.57 -47.03 87.14 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.74 -49.27 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.855 0.752 . . . . 0.0 110.451 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -59.78 -42.24 92.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.55 92.55 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.54 -48.55 81.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.811 1.244 . . . . 0.0 107.877 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.88 63.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.902 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -51.34 -52.91 41.31 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.509 0.724 . . . . 0.0 110.709 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -47.02 -68.22 0.21 Allowed 'General case' 0 C--N 1.338 0.087 0 C-N-CA 124.401 1.08 . . . . 0.0 109.745 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.95 -25.27 63.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.844 0.857 . . . . 0.0 113.267 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -83.48 -4.05 58.16 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.566 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -135.54 50.36 2.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -171.407 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 CA-C-O 121.072 0.262 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -50.76 4.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.171 2.189 . . . . 0.0 112.275 -177.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.09 -35.58 26.01 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.703 1.201 . . . . 0.0 112.328 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.91 -49.41 7.1 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -46.76 -39.97 12.67 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.351 1.06 . . . . 0.0 113.164 -176.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -45.6 -31.63 1.96 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -50.42 16.32 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.87 0.843 . . . . 0.0 109.866 177.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.94 -33.84 67.41 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.024 2.13 . . . . 0.0 110.187 -176.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.1 mt -46.87 -34.78 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.479 0.712 . . . . 0.0 110.592 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.75 -37.6 9.24 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.756 -0.469 . . . . 0.0 112.314 177.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.66 -22.39 11.63 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.518 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -104.1 -19.09 14.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.99 159.76 13.2 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.28 -46.2 35.62 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.913 -0.757 . . . . 0.0 112.72 -177.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -83.67 -6.5 59.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.99 0.916 . . . . 0.0 113.185 -177.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.13 16.24 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 120.655 -1.278 . . . . 0.0 111.674 -175.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -81.64 -32.64 31.79 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.287 1.835 . . . . 0.0 113.059 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -58.31 114.05 2.24 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 123.514 0.726 . . . . 0.0 112.127 -174.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.92 80.67 1.66 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.923 0.889 . . . . 0.0 108.805 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.84 171.55 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.662 1.985 . . . . 0.0 114.387 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.9 mtp -17.74 99.18 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.777 2.431 . . . . 0.0 115.263 -176.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.47 56.07 2.9 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 177.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 45.12 47.68 9.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.025 1.33 . . . . 0.0 112.73 176.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 140.64 42.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.061 0.544 . . . . 0.0 111.652 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 119.73 25.36 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.001 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -53.84 142.37 63.37 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.397 1.398 . . . . 0.0 111.955 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.0 t -77.81 -36.18 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.135 0.974 . . . . 0.0 110.261 -176.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -23.42 90.91 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 0.0 110.588 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 34.44 58.08 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.171 1.843 . . . . 0.0 115.665 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -48.74 -51.7 27.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 123.096 1.427 . . . . 0.0 108.582 175.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.59 130.46 1.12 Allowed Glycine 0 C--O 1.22 -0.777 0 C-N-CA 127.259 2.361 . . . . 0.0 109.126 172.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.3 -43.47 4.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.574 2.187 . . . . 0.0 113.132 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.87 -48.98 69.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.216 0.462 . . . . 0.0 110.421 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.12 -56.19 22.61 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 125.074 1.349 . . . . 0.0 108.647 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.86 -60.22 3.3 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 126.317 1.847 . . . . 0.0 109.049 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -46.66 -54.83 8.78 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.164 0.893 . . . . 0.0 111.782 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -54.77 -46.76 74.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.023 0.202 . . . . 0.0 111.167 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -61.59 -56.29 21.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.161 179.203 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -43.85 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 121.213 1.824 . . . . 0.0 111.3 177.483 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -58.71 -46.71 86.7 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.96 -48.54 81.79 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.785 1.183 . . . . 0.0 111.645 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -58.39 -57.6 12.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.596 1.159 . . . . 0.0 108.225 177.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.91 69.68 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.194 0.598 . . . . 0.0 111.33 -179.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.71 -33.89 76.02 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.385 0.674 . . . . 0.0 110.913 178.325 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.82 19.75 30.67 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.206 0.907 . . . . 0.0 111.515 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -57.24 2.81 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -78.8 63.22 3.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.63 131.41 2.35 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.377 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.56 148.74 20.66 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 107.315 -2.314 . . . . 0.0 107.315 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 37.0 -103.78 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.232 2.213 . . . . 0.0 113.032 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -47.96 -36.55 12.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.684 1.194 . . . . 0.0 112.681 -177.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -66.4 -12.98 59.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.64 -40.5 53.33 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.188 0.595 . . . . 0.0 111.297 177.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.8 mtt -54.91 -57.34 12.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.28 0.632 . . . . 0.0 110.224 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.8 mtm -61.76 -45.85 92.11 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.513 0.725 . . . . 0.0 110.244 178.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.0 m -46.46 -48.01 19.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.528 0.731 . . . . 0.0 109.495 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -46.2 56.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.787 176.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -63.95 1.01 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.555 0.616 . . . . 0.0 112.544 -176.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 m -62.51 -26.21 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.622 -0.674 . . . . 0.0 111.729 -178.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -62.05 -21.98 65.37 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.924 0.784 . . . . 0.0 110.837 176.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.07 -20.44 60.96 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.841 0.746 . . . . 0.0 111.017 176.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.17 178.11 5.84 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.853 1.261 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.2 p -125.65 167.49 15.03 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.757 0.823 . . . . 0.0 110.127 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -44.2 -46.89 9.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.008 0.923 . . . . 0.0 113.355 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.58 -54.03 25.82 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-O 121.659 0.742 . . . . 0.0 109.996 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.05 -55.91 28.64 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.158 1.383 . . . . 0.0 109.393 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -51.52 -51.73 52.85 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.354 0.409 . . . . 0.0 110.957 -178.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -57.2 -48.44 78.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.31 72.4 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -50.86 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.22 69.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.203 174.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.37 -53.64 54.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.493 0.317 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -54.37 -55.13 31.66 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 110.65 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 mtm -61.95 -25.75 67.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -83.09 6.94 17.34 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.719 175.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -143.3 50.0 1.41 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.399 -2.075 . . . . 0.0 105.399 179.201 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -172.695 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.34 -46.8 55.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.509 1.124 . . . . 0.0 112.977 -176.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.61 73.98 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.54 -42.29 70.74 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.581 1.552 . . . . 0.0 109.865 -178.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -48.43 -29.15 3.77 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.206 1.002 . . . . 0.0 113.268 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -54.21 -37.31 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.34 -0.85 . . . . 0.0 110.58 177.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -91.92 37.35 0.97 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.6 0.76 . . . . 0.0 110.839 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.24 -32.91 0.7 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.34 1.456 . . . . 0.0 112.274 -174.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.4 153.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.683 1.593 . . . . 0.0 109.36 174.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.14 -54.91 4.93 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-O 118.564 -1.131 . . . . 0.0 110.298 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.2 -40.51 44.89 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.697 1.749 . . . . 0.0 107.815 178.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -104.11 11.74 34.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.044 0.938 . . . . 0.0 111.641 177.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.56 -102.53 1.51 Allowed Glycine 0 C--N 1.335 0.491 0 N-CA-C 107.29 -2.324 . . . . 0.0 107.29 174.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.48 30.27 1.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -161.16 -103.17 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -173.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.66 31.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.814 1.197 . . . . 0.0 111.66 177.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 m -90.68 -44.66 9.35 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 117.728 0.764 . . . . 0.0 111.343 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 150.45 48.54 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 130.63 39.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.54 -122.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.746 0.818 . . . . 0.0 110.143 -178.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.5 mtt -69.35 75.75 0.37 Allowed 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.642 -0.661 . . . . 0.0 109.796 177.201 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 -173.8 55.08 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -40.92 101.92 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.725 2.01 . . . . 0.0 112.91 -178.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.15 133.66 37.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.742 1.217 . . . . 0.0 107.724 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -58.17 123.39 64.96 Favored Pre-proline 0 N--CA 1.432 -1.33 0 C-N-CA 125.348 1.459 . . . . 0.0 109.075 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.56 134.82 47.26 Favored 'Trans proline' 0 N--CA 1.45 -1.029 0 C-N-CA 121.945 1.763 . . . . 0.0 109.875 175.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.26 -36.8 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.871 1.268 . . . . 0.0 110.217 -175.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -43.96 101.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.792 1.237 . . . . 0.0 110.131 -179.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.65 40.55 99.3 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 117.19 1.636 . . . . 0.0 117.19 176.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -57.94 -58.62 7.61 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.272 2.036 . . . . 0.0 108.27 172.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.12 137.75 2.26 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.492 2.472 . . . . 0.0 108.592 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.12 64.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.708 1.754 . . . . 0.0 112.561 -176.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.59 -54.87 40.16 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.495 0.589 . . . . 0.0 110.128 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -48.21 -57.97 5.17 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.487 1.515 . . . . 0.0 108.411 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.26 -68.09 0.2 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 113.646 -1.615 . . . . 0.0 109.129 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -38.18 -61.72 0.64 Allowed 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.977 1.711 . . . . 0.0 111.81 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -53.7 -42.1 67.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.949 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -75.9 -44.15 41.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.445 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -37.65 85.15 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.034 1.743 . . . . 0.0 109.36 174.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -63.18 -46.96 84.64 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.21 -50.04 41.59 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.037 1.303 . . . . 0.0 110.695 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -62.36 -57.97 9.39 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.453 0.701 . . . . 0.0 109.483 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.83 66.91 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.636 -0.665 . . . . 0.0 112.51 -179.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.95 -22.64 63.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.448 1.099 . . . . 0.0 111.346 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.22 20.08 63.39 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.603 0.621 . . . . 0.0 111.657 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -90.79 -52.09 5.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.25 147.91 27.71 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.43 -172.63 40.25 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.463 1.029 . . . . 0.0 111.657 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.04 162.34 22.15 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.485 -2.646 . . . . 0.0 106.485 -179.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.72 -54.29 19.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.953 1.377 . . . . 0.0 112.429 -176.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -59.7 -23.56 63.23 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.055 0.542 . . . . 0.0 112.311 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.83 1.9 54.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 111.268 -176.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.6 -51.4 70.06 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.608 1.095 . . . . 0.0 111.785 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.8 ttm -57.19 -50.33 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 ttp -54.49 -50.35 68.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.339 0.655 . . . . 0.0 109.915 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -50.83 -52.93 36.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.885 0.874 . . . . 0.0 108.814 178.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -43.52 95.11 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.603 178.534 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -51.3 67.73 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.588 0.631 . . . . 0.0 110.416 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.13 -23.45 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.035 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -54.68 -33.86 61.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.576 1.08 . . . . 0.0 109.981 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -64.91 -22.49 67.0 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 123.907 0.883 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 131.11 34.84 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.913 1.285 . . . . 0.0 112.566 -174.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -76.72 174.25 10.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -55.45 -46.59 76.77 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.14 -0.975 . . . . 0.0 110.965 179.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.31 -53.19 47.37 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.209 1.403 . . . . 0.0 110.457 177.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.056 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.72 -45.95 85.06 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.491 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -59.73 -45.11 93.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.58 78.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.197 -0.315 . . . . 0.0 111.839 178.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.59 -52.83 61.83 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.51 62.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.639 176.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.82 -50.64 63.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.724 0.41 . . . . 0.0 110.648 178.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -53.73 -58.45 7.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.156 0.982 . . . . 0.0 110.235 178.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.1 mmt -56.15 -34.8 66.48 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.018 0.927 . . . . 0.0 111.29 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -82.05 9.54 8.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 117.766 -1.111 . . . . 0.0 113.349 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.77 38.89 1.49 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 178.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.431 -1.423 0 C-N-CA 125.979 1.712 . . . . 0.0 108.152 -174.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.64 44.45 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.569 0.748 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.87 84.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.597 0.359 . . . . 0.0 111.106 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.08 -44.61 95.28 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 125.547 1.539 . . . . 0.0 110.788 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.14 -40.95 67.88 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -31.22 -56.64 0.24 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.115 1.366 . . . . 0.0 113.414 -177.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -61.41 -40.39 94.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.24 -28.1 67.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.743 1.617 . . . . 0.0 110.953 -175.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.0 -35.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 C-N-CA 123.862 0.865 . . . . 0.0 109.329 175.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.56 -41.47 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.651 178.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.3 m -106.62 -33.18 7.73 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.073 0.937 . . . . 0.0 111.745 -178.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -95.42 -26.57 15.81 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.021 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.55 170.05 46.04 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -177.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -65.28 0.58 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 -177.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.68 34.3 0.49 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.074 0.55 . . . . 0.0 110.711 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.35 36.67 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.439 1.971 . . . . 0.0 113.893 -178.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -98.72 -25.07 14.8 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -168.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -79.8 37.67 0.36 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.996 1.725 . . . . 0.0 112.916 -172.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.74 -113.91 0.82 Allowed 'General case' 0 C--N 1.342 0.239 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.25 168.8 2.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.057 2.943 . . . . 0.0 106.603 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -42.9 108.89 0.11 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.061 1.345 . . . . 0.0 111.965 -177.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.86 -97.42 1.14 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 -178.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -159.22 137.91 10.89 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.54 152.65 10.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -58.61 118.49 28.87 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 172.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.39 144.56 95.18 Favored 'Trans proline' 0 N--CA 1.444 -1.44 0 N-CA-C 107.519 -1.762 . . . . 0.0 107.519 179.255 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 t -66.84 -37.05 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -27.12 98.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.961 2.504 . . . . 0.0 111.285 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 36.91 37.96 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.977 2.227 . . . . 0.0 114.849 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.319 3.7 pt20 -61.74 -34.24 75.47 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.585 1.693 . . . . 0.0 111.289 -177.101 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.15 123.4 1.26 Allowed Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.227 1.87 . . . . 0.0 112.127 170.081 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.7 -42.97 26.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.358 2.079 . . . . 0.0 112.324 178.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.53 -55.4 35.08 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -45.48 -61.01 1.86 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.919 2.088 . . . . 0.0 108.871 177.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.75 -62.62 1.54 Allowed 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 128.109 2.564 . . . . 0.0 109.171 -178.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -43.56 -59.06 2.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.439 1.096 . . . . 0.0 111.376 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -50.69 -49.05 58.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.028 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -68.18 -46.48 70.58 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.344 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -35.36 79.29 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 120.866 1.666 . . . . 0.0 110.023 175.218 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -61.49 -47.29 86.31 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.86 -53.07 31.54 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.86 1.219 . . . . 0.0 110.99 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -64.58 -49.16 72.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.704 0.802 . . . . 0.0 110.872 -179.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.42 90.85 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.644 -0.66 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.62 -37.96 80.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.102 0.561 . . . . 0.0 110.351 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 11.65 34.97 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.608 1.099 . . . . 0.0 111.327 -178.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.88 60.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.07 144.97 27.0 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.69 -172.45 41.17 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.17 163.05 12.98 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 -179.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -46.95 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.868 0.834 . . . . 0.0 112.082 -178.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -70.24 -26.98 64.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.047 0.539 . . . . 0.0 111.744 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -80.38 -25.56 39.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.581 0.752 . . . . 0.0 110.658 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -33.58 -53.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.643 1.577 . . . . 0.0 115.211 -176.209 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 94.3 mtp -54.2 -59.29 4.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.67 0.747 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.7 ttp -55.99 -44.59 78.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.352 1.061 . . . . 0.0 109.974 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 m -55.65 -52.41 63.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -40.33 93.44 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 119.2 -0.429 . . . . 0.0 109.993 178.238 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -56.78 17.44 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.442 0.565 . . . . 0.0 109.815 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.89 -25.95 38.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.826 -0.547 . . . . 0.0 111.447 179.189 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.29 -27.22 61.95 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.306 0.957 . . . . 0.0 110.261 176.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -73.33 -17.34 61.31 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.196 0.453 . . . . 0.0 111.98 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.16 -161.08 0.5 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.395 1.478 . . . . 0.0 110.419 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -146.49 -77.41 0.18 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -153.75 -51.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.519 0.328 . . . . 0.0 111.753 -176.066 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.38 -49.74 66.57 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.603 1.192 . . . . 0.0 107.986 177.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -50.83 -57.39 8.54 Favored 'General case' 0 N--CA 1.424 -1.752 0 C-N-CA 128.143 2.577 . . . . 0.0 109.728 177.02 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.27 -50.08 72.39 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.575 1.15 . . . . 0.0 111.198 -178.028 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.7 -48.24 81.79 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.92 78.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.37 -48.74 54.87 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.48 -52.84 52.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.999 0.52 . . . . 0.0 111.173 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -56.61 -54.99 39.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.31 -0.243 . . . . 0.0 110.68 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -53.24 -51.26 62.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.331 0.586 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.3 mtp -60.76 -29.98 69.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.413 1.085 . . . . 0.0 111.784 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -76.24 2.79 12.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.339 175.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -130.18 38.63 3.76 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 -175.322 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.75 -51.5 69.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.946 0.898 . . . . 0.0 111.287 -178.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.61 61.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.559 0.743 . . . . 0.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -79.1 -59.25 2.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.184 0.994 . . . . 0.0 108.499 178.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -43.41 -45.93 6.44 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.933 1.693 . . . . 0.0 113.161 -176.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -31.96 2.55 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.98 -45.03 28.82 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.052 0.929 . . . . 0.0 110.632 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -58.41 -31.9 68.14 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.72 2.008 . . . . 0.0 110.183 -175.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.9 mt -44.02 -36.08 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.62 1.168 . . . . 0.0 110.928 174.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.57 -42.76 14.48 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 118.245 0.475 . . . . 0.0 112.111 178.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.7 m -99.11 -34.71 10.28 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 117.282 0.541 . . . . 0.0 110.999 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -81.9 -33.13 30.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -172.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.35 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.014 0 CA-C-N 119.48 1.036 . . . . 0.0 113.427 175.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.47 -110.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.239 1.815 . . . . 0.0 111.82 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.58 -12.31 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.362 1.065 . . . . 0.0 111.876 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.83 41.04 2.56 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.165 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -87.93 -32.63 18.81 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 126.552 1.941 . . . . 0.0 114.8 -172.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -76.75 139.35 40.4 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.582 -175.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 102.29 3.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -175.49 0.12 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.649 0.78 . . . . 0.0 112.058 -178.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt -30.91 119.66 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.355 1.862 . . . . 0.0 113.625 -176.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 39.58 63.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.182 0.896 . . . . 0.0 112.644 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m 52.26 52.8 13.54 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.122 0.969 . . . . 0.0 111.094 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.5 149.87 49.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.005 0.922 . . . . 0.0 112.447 -177.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -54.35 118.58 16.72 Favored Pre-proline 0 N--CA 1.447 -0.583 0 C-N-CA 124.593 1.157 . . . . 0.0 108.605 173.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.72 148.8 72.31 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 CA-C-N 120.065 1.059 . . . . 0.0 110.547 177.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -76.49 -41.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.144 -177.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -19.98 85.84 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 0 C-N-CA 127.387 2.275 . . . . 0.0 113.328 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.78 54.87 4.14 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.758 1.647 . . . . 0.0 115.795 179.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -49.03 -52.88 22.75 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.008 1.385 . . . . 0.0 109.174 174.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 137.24 2.23 Favored Glycine 0 C--O 1.222 -0.655 0 CA-C-N 112.389 -2.187 . . . . 0.0 109.484 174.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.76 14.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.091 1.946 . . . . 0.0 112.314 -178.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -57.52 -56.26 24.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.714 0.805 . . . . 0.0 109.61 178.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.92 -59.05 5.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.111 1.364 . . . . 0.0 109.387 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -53.62 -49.16 68.44 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.879 1.271 . . . . 0.0 110.866 -177.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -56.73 -60.46 3.52 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.183 0.593 . . . . 0.0 110.484 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -54.82 -47.82 73.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.109 -176.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.06 -41.6 77.37 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.638 -0.664 . . . . 0.0 111.035 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.262 3.6 ppp? -68.08 -39.16 82.96 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.031 0.832 . . . . 0.0 110.361 179.34 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.03 -45.55 86.77 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.65 -61.01 3.08 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.905 2.193 . . . . 0.0 111.374 174.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -61.97 -52.8 62.55 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 109.659 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.96 65.49 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.609 0.764 . . . . 0.0 111.891 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -86.52 11.17 13.25 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.077 0.551 . . . . 0.0 111.168 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.33 33.43 11.33 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.436 1.017 . . . . 0.0 112.008 -178.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -108.53 -54.97 2.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.789 0.836 . . . . 0.0 108.757 -176.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.5 95.72 8.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 175.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.37 -176.97 45.88 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 118.592 -1.766 . . . . 0.0 113.507 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.94 171.62 44.66 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 107.189 -2.364 . . . . 0.0 107.189 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -41.99 -57.69 2.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.888 1.275 . . . . 0.0 112.36 -177.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.91 -27.41 12.9 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.994 1.318 . . . . 0.0 113.975 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -87.42 -27.11 22.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.254 1.022 . . . . 0.0 111.285 -177.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -26.9 -55.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.999 2.12 . . . . 0.0 116.22 -173.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -53.14 -55.26 25.51 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 109.808 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 ttp -61.26 -49.79 75.65 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.79 178.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -45.91 -55.59 6.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.9 97.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.532 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.73 -59.6 4.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.6 0.636 . . . . 0.0 110.71 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.7 -29.71 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.861 -0.524 . . . . 0.0 111.63 -179.227 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -56.4 -25.17 49.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.098 0.863 . . . . 0.0 111.09 176.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -75.7 -18.72 59.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.825 0.738 . . . . 0.0 112.386 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 144.78 29.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.432 1.093 . . . . 0.0 110.382 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 p -84.32 171.93 12.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.637 1.175 . . . . 0.0 110.091 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.33 -41.87 76.76 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.434 -0.791 . . . . 0.0 111.402 178.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -55.73 -52.25 64.54 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 121.592 0.711 . . . . 0.0 109.607 178.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.54 -41.51 90.23 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.164 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -53.95 52.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.6 0.636 . . . . 0.0 109.985 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -54.9 -45.58 74.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.78 85.24 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.58 -0.724 . . . . 0.0 112.362 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -51.29 67.7 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.7 50.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.063 178.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -53.7 -55.34 27.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -53.09 -58.42 7.07 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.515 0.726 . . . . 0.0 110.859 -179.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtm -55.92 -36.59 67.88 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 123.65 0.78 . . . . 0.0 111.129 -179.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -63.77 -7.31 7.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.955 179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -100.74 -4.93 27.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.675 1.125 . . . . 0.0 111.493 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.426 -1.65 0 C-N-CA 124.787 1.235 . . . . 0.0 111.519 -177.094 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.29 0 N-CA-C 114.56 0.584 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.74 60.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.832 1.316 . . . . 0.0 111.188 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.96 86.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.937 0.895 . . . . 0.0 111.167 178.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.32 -50.36 60.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.69 -45.08 19.2 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.744 0.818 . . . . 0.0 112.787 -176.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -43.91 -36.62 2.48 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.374 1.07 . . . . 0.0 113.266 179.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -78.98 -46.04 19.06 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.922 0.867 . . . . 0.0 110.021 176.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.38 -32.92 27.71 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.914 2.886 . . . . 0.0 111.261 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -44.06 -38.0 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.522 1.129 . . . . 0.0 110.103 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.3 -34.61 4.7 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.354 178.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.3 t -116.07 -30.59 5.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.081 0.94 . . . . 0.0 111.941 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -94.21 -12.14 28.86 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -175.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.96 -167.87 50.82 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 177.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.81 -85.43 0.06 Allowed 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 122.266 -0.549 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -81.41 52.43 1.85 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 126.086 1.754 . . . . 0.0 111.359 -176.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.55 4.49 0.01 OUTLIER Glycine 0 CA--C 1.54 1.617 0 C-N-CA 129.309 3.338 . . . . 0.0 119.375 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.7 m -84.66 49.47 1.71 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 126.698 1.999 . . . . 0.0 110.758 -175.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -80.15 169.34 17.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -175.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 84.22 2.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 101.877 -3.379 . . . . 0.0 101.877 169.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.58 -175.13 0.24 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.023 1.329 . . . . 0.0 111.529 -175.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 58.0 mtt -64.63 87.06 0.05 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.14 0.882 . . . . 0.0 109.571 176.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.17 144.77 16.53 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.523 2.011 . . . . 0.0 108.364 -174.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 t -50.66 139.53 16.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.762 0.781 . . . . 0.0 110.933 -179.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.31 158.58 27.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.365 0.666 . . . . 0.0 109.906 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -59.1 117.8 24.62 Favored Pre-proline 0 N--CA 1.438 -1.03 0 C-N-CA 125.615 1.566 . . . . 0.0 109.42 177.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.57 146.81 94.16 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.232 1.288 . . . . 0.0 110.251 176.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.17 -32.3 19.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.463 -177.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -23.17 96.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.752 2.021 . . . . 0.0 112.354 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.99 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.886 2.184 . . . . 0.0 115.378 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -53.48 -56.97 12.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.854 1.827 . . . . 0.0 109.732 177.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 147.02 4.77 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 112.561 -2.109 . . . . 0.0 109.715 175.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.58 88.99 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 118.838 1.319 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.78 -50.59 70.42 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -47.62 -57.52 5.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.841 1.257 . . . . 0.0 109.412 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.6 mt -60.04 -53.34 58.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.485 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -44.59 -58.3 3.1 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.25 1.02 . . . . 0.0 111.261 178.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -50.97 -48.17 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.613 178.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.36 -44.95 86.05 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.765 178.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mmm -54.08 -48.52 70.57 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.873 2.124 . . . . 0.0 109.207 176.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -58.45 -48.58 80.26 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.03 -49.75 35.33 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 125.652 1.596 . . . . 0.0 111.436 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.28 -62.28 1.71 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.71 -48.55 20.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.859 1.264 . . . . 0.0 113.872 -176.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -78.11 0.39 24.97 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.31 43.28 46.99 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.827 0.727 . . . . 0.0 113.331 176.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -115.19 -59.14 2.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.896 0.848 . . . . 0.0 108.893 175.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -76.7 57.37 1.26 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.648 0.779 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.04 46.92 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 120.967 -1.083 . . . . 0.0 112.501 -178.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.64 -56.01 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -179.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -84.8 -127.63 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.059 0.944 . . . . 0.0 108.935 -178.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -48.54 -36.4 15.34 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.079 1.308 . . . . 0.0 111.496 177.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.08 -26.17 1.73 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.979 2.112 . . . . 0.0 112.181 177.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.52 79.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 111.869 176.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.58 -55.03 31.01 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.928 0.87 . . . . 0.0 108.999 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ttp -54.15 -44.81 71.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.639 1.176 . . . . 0.0 109.523 177.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.6 m -54.32 -54.11 44.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.984 0.914 . . . . 0.0 108.912 176.189 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.68 76.63 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.478 0.581 . . . . 0.0 110.273 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.11 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.111 0.414 . . . . 0.0 110.629 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.57 -33.23 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.933 -0.48 . . . . 0.0 111.689 -177.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.88 -24.12 65.71 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.269 -0.895 . . . . 0.0 111.482 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -78.33 -5.21 51.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.586 0.63 . . . . 0.0 111.796 177.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.46 -167.69 1.44 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.838 1.255 . . . . 0.0 110.516 177.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -147.63 161.08 41.88 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -37.3 -53.79 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.918 -175.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -50.68 -51.44 49.37 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 123.921 0.889 . . . . 0.0 109.75 178.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.383 -176.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.55 -54.28 45.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -57.26 -46.36 83.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.12 80.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.329 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.93 -52.92 57.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.33 54.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.247 0.342 . . . . 0.0 110.682 178.267 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.21 -56.93 15.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.578 0.351 . . . . 0.0 111.306 178.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -56.22 -54.3 46.85 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.522 0.677 . . . . 0.0 110.791 -177.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.51 -30.38 68.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.321 1.048 . . . . 0.0 112.42 177.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -77.97 8.25 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.531 -0.731 . . . . 0.0 111.516 174.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -137.07 40.52 2.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -175.489 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 CA-C-O 119.659 -0.523 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.92 51.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.08 0.94 . . . . 0.0 111.035 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.03 -47.55 68.29 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.642 0.377 . . . . 0.0 110.166 178.577 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.41 -53.72 54.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -50.69 -36.16 34.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.239 1.015 . . . . 0.0 113.293 -176.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -45.79 -41.36 10.81 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.412 0.551 . . . . 0.0 111.411 177.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.16 -39.08 85.13 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 111.638 179.269 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.34 -29.11 53.31 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.603 1.961 . . . . 0.0 111.71 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.1 mt -45.5 -39.1 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 123.639 0.776 . . . . 0.0 110.006 177.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.87 -35.96 6.41 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.141 0.876 . . . . 0.0 113.553 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.7 t -110.12 -33.42 6.68 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 118.352 1.076 . . . . 0.0 112.122 -179.079 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -93.27 -32.32 14.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.67 162.83 36.77 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.63 -58.53 5.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.155 0.582 . . . . 0.0 111.027 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.66 32.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 112.49 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 31.06 60.81 0.24 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 126.964 2.221 . . . . 0.0 114.38 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.0 m -142.01 -9.56 0.89 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.032 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -72.55 160.86 31.58 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 120.975 1.716 . . . . 0.0 110.976 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 91.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.4 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.05 168.03 0.54 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.716 0.806 . . . . 0.0 110.188 174.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 mtt -56.18 122.02 10.79 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.506 -178.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.53 73.13 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.384 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 65.93 165.67 0.19 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 0.0 113.563 178.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.98 157.06 6.41 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.409 1.084 . . . . 0.0 109.42 -178.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -64.54 146.09 98.3 Favored Pre-proline 0 C--N 1.342 0.271 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 169.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.2 141.45 57.17 Favored 'Trans proline' 0 N--CA 1.439 -1.712 0 N-CA-C 108.077 -1.547 . . . . 0.0 108.077 176.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.85 -27.89 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.786 1.234 . . . . 0.0 108.587 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -27.64 95.66 0.01 OUTLIER 'General case' 0 C--N 1.343 0.297 0 C-N-CA 127.754 2.422 . . . . 0.0 111.015 177.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 35.71 52.51 1.11 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 127.05 2.262 . . . . 0.0 115.501 -179.243 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -50.6 -54.01 26.07 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 123.367 1.556 . . . . 0.0 109.157 176.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.89 150.4 5.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 128.103 2.764 . . . . 0.0 109.132 173.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.66 99.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.925 0.862 . . . . 0.0 111.77 -178.289 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -59.69 -55.35 35.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -49.57 -60.83 2.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.42 1.488 . . . . 0.0 109.312 177.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.8 mt -56.73 -44.46 81.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.706 1.202 . . . . 0.0 111.222 -177.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.44 -55.37 35.91 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.209 0.913 . . . . 0.0 109.885 178.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -53.7 -55.53 25.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.85 -49.82 76.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.354 1.062 . . . . 0.0 111.614 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -65.88 -37.04 85.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 110.96 -178.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.63 -42.93 98.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 172.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.19 -51.03 49.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 176.558 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.68 -55.77 30.82 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.894 0.878 . . . . 0.0 109.571 176.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.83 -45.82 67.47 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.413 0.685 . . . . 0.0 111.779 -179.135 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.86 -41.47 95.64 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.716 0.807 . . . . 0.0 109.873 177.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 17.9 17.91 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.788 1.185 . . . . 0.0 111.542 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.53 -57.99 2.74 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.012 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -75.68 69.07 2.35 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.51 -174.48 33.41 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 119.278 0.945 . . . . 0.0 112.537 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.63 162.96 10.15 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.323 1.916 . . . . 0.0 108.965 -176.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 49.32 -131.89 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.391 1.077 . . . . 0.0 109.947 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -52.41 -31.85 36.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 126.95 2.1 . . . . 0.0 111.932 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.8 -10.1 25.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.167 0.587 . . . . 0.0 111.076 -175.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.71 82.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.746 0.703 . . . . 0.0 109.938 171.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttm -61.36 -56.65 17.96 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.9 ttp -53.01 -48.84 67.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.29 1.436 . . . . 0.0 109.254 178.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 m -50.52 -57.67 7.56 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.694 1.198 . . . . 0.0 109.516 176.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -40.71 86.7 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.547 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -57.88 11.0 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.304 0.502 . . . . 0.0 110.551 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.12 -25.17 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.514 -0.741 . . . . 0.0 112.206 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -54.76 -30.44 56.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.688 1.131 . . . . 0.0 109.863 176.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -69.16 -19.47 64.01 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.78 139.48 31.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.38 1.072 . . . . 0.0 111.784 -175.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.1 t -87.84 168.27 13.07 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.066 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -47.8 -45.79 29.94 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.038 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -54.28 -50.45 67.24 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.584 1.153 . . . . 0.0 110.581 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -64.99 -48.01 75.51 Favored 'General case' 0 N--CA 1.426 -1.628 0 C-N-CA 124.935 1.294 . . . . 0.0 109.569 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.1 mt -51.76 -56.16 15.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.972 0.909 . . . . 0.0 109.575 178.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -53.88 -51.0 65.06 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.207 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.97 73.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -45.5 77.22 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.24 49.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.412 0.285 . . . . 0.0 110.35 176.187 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -51.83 -46.03 64.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.188 0.595 . . . . 0.0 110.575 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.88 -60.71 3.36 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.832 -0.542 . . . . 0.0 109.958 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.5 mtm -52.49 -30.23 29.02 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.734 0.813 . . . . 0.0 112.321 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -66.41 -18.2 65.22 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -131.87 57.72 1.76 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -177.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 26.5 tp . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -172.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.165 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 -64.44 0.95 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -175.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.5 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 123.224 0.61 . . . . 0.0 112.502 -177.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.53 -57.91 3.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 175.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -52.77 -27.03 16.09 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.561 1.544 . . . . 0.0 114.532 -175.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -54.67 -29.0 51.48 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.853 0.751 . . . . 0.0 110.726 176.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.6 2.39 33.53 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 -178.583 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -124.81 -37.54 2.46 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.3 1.44 . . . . 0.0 111.092 -173.645 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.4 pt -45.22 -37.73 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.412 178.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.98 -35.08 17.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.552 0.596 . . . . 0.0 112.319 179.303 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -109.95 -30.07 7.97 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 117.702 0.751 . . . . 0.0 111.999 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -87.74 -23.96 23.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -176.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 175.13 37.75 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.27 20.79 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.549 1.14 . . . . 0.0 113.033 -176.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.25 69.45 1.46 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -177.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.42 35.2 2.7 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.473 1.511 . . . . 0.0 112.199 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.13 -39.77 22.82 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.164 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -97.28 152.04 19.27 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -173.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.18 92.38 0.55 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.083 0.953 . . . . 0.0 108.561 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.31 142.82 5.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.649 0.78 . . . . 0.0 111.176 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.3 mtt 50.92 21.05 0.88 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.755 1.222 . . . . 0.0 112.644 -173.576 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.25 18.99 56.74 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.264 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -171.57 80.78 0.07 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.649 1.224 . . . . 0.0 108.376 -177.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -168.92 151.54 4.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -67.8 120.93 77.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 171.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.58 140.61 75.53 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 N-CA-C 108.631 -1.334 . . . . 0.0 108.631 176.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.28 -45.1 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.655 -178.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 5.13 65.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 129.151 2.981 . . . . 0.0 113.399 -177.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.96 57.14 2.06 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.412 1.958 . . . . 0.0 115.014 -178.069 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -37.79 -59.08 0.85 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.823 1.297 . . . . 0.0 111.697 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.79 148.09 5.86 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 127.561 2.505 . . . . 0.0 107.102 177.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.908 1.854 . . . . 0.0 111.779 -177.084 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.58 -54.88 41.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.985 0.514 . . . . 0.0 109.71 178.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -49.29 -60.87 2.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.164 1.386 . . . . 0.0 109.032 178.274 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.36 -61.0 2.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.844 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -45.48 -52.87 9.65 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.108 0.867 . . . . 0.0 112.187 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.85 -41.38 82.25 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.25 0.22 . . . . 0.0 110.864 178.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -72.41 -45.71 58.45 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.3 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.47 92.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 121.918 2.145 . . . . 0.0 109.366 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -60.01 -42.3 94.0 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.35 -62.07 2.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 127.321 2.391 . . . . 0.0 110.101 173.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 22.9 m-85 -61.04 -48.47 81.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 113.96 -1.12 . . . . 0.0 110.371 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.11 73.9 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.675 0.67 . . . . 0.0 111.489 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.72 -32.64 63.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.238 0.615 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.3 -9.52 69.6 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.839 0.733 . . . . 0.0 112.07 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -65.36 -54.65 25.73 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.18 0.992 . . . . 0.0 108.826 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 17.9 t80 -64.96 -29.4 70.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.467 1.127 . . . . 0.0 112.191 178.236 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.83 62.98 0.91 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 127.152 2.311 . . . . 0.0 114.516 -177.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.96 118.9 12.04 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.879 1.228 . . . . 0.0 112.005 178.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 35.93 -92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.679 2.392 . . . . 0.0 113.791 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -49.24 -37.56 23.75 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 124.472 1.109 . . . . 0.0 111.95 -178.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -71.51 -6.86 43.69 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.696 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.97 -38.42 62.11 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.526 0.731 . . . . 0.0 111.1 176.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.2 ttm -56.22 -49.2 74.79 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.097 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttm -61.36 -46.46 90.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.208 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -49.14 -55.28 12.83 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.26 0.624 . . . . 0.0 109.594 175.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -37.86 87.22 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.286 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.47 -56.21 22.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.414 0.552 . . . . 0.0 110.243 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.87 -28.74 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.505 -0.747 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.03 -22.18 60.27 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.715 0.689 . . . . 0.0 110.971 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -66.6 -21.6 66.13 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.111 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.77 163.98 12.95 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.047 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -113.98 167.81 10.34 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.457 1.103 . . . . 0.0 109.855 179.063 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -44.74 -47.08 10.75 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.12 0.968 . . . . 0.0 113.332 -175.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.9 -46.99 78.24 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.55 0.69 . . . . 0.0 110.935 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.32 -51.22 68.53 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.219 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -49.06 -52.16 27.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.043 0.537 . . . . 0.0 110.839 178.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -57.97 -49.06 78.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.082 0.468 . . . . 0.0 109.773 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.88 70.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.54 -48.98 52.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -178.513 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -56.41 16.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.08 173.153 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -54.19 -47.27 72.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.725 0.41 . . . . 0.0 111.698 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.09 -58.35 9.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.443 0.697 . . . . 0.0 109.976 178.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.7 mtm -56.96 -30.91 64.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -177.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 m -54.58 -18.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.155 0.889 . . . . 0.0 113.141 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -93.49 1.6 56.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.702 -178.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.429 -1.512 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.074 -177.371 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 115.022 0.769 . . . . 0.0 115.022 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.83 -37.75 44.81 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.061 0.931 . . . . 0.0 111.676 177.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -53.38 24.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.8 -40.28 41.09 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.103 1.361 . . . . 0.0 112.002 -177.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -38.94 -39.75 0.57 Allowed 'General case' 0 C--N 1.339 0.11 0 C-N-CA 125.642 1.577 . . . . 0.0 112.854 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -37.12 4.19 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.169 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -69.09 -21.62 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.689 1.196 . . . . 0.0 113.153 -178.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.4 -16.57 27.18 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.166 1.787 . . . . 0.0 111.981 -175.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -52.2 159.03 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.142 0.977 . . . . 0.0 108.964 175.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.38 -56.42 4.51 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -176.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.78 -46.57 16.74 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.312 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -97.58 -6.37 33.56 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.01 170.41 13.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 121.273 -0.892 . . . . 0.0 111.911 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.64 73.41 2.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.498 0.719 . . . . 0.0 109.647 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t0 72.39 97.58 0.07 Allowed 'General case' 0 C--N 1.338 0.066 0 C-N-CA 126.746 2.019 . . . . 0.0 110.611 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.71 -32.86 0.17 Allowed Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.972 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t 61.98 56.44 2.32 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.069 1.748 . . . . 0.0 111.071 -177.231 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -57.7 164.7 1.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.255 175.084 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.13 110.36 0.92 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.04 -129.08 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.988 0.915 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mtp -75.64 68.95 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.419 -0.801 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.35 -178.7 17.16 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.974 1.75 . . . . 0.0 109.864 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -72.23 62.11 0.48 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.398 1.479 . . . . 0.0 110.962 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 136.6 57.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.497 -177.068 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -54.99 134.0 67.55 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 171.004 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.25 122.73 10.04 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.1 -43.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 175.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -47.43 108.33 0.15 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.924 0.889 . . . . 0.0 109.403 177.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.0 7.02 83.8 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 117.03 -1.983 . . . . 0.0 116.787 173.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 7.6 pt20 -74.24 -175.56 2.32 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.041 2.92 . . . . 0.0 107.412 172.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.68 132.33 11.31 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 119.928 -1.732 . . . . 0.0 114.379 -169.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -45.88 10.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.101 1.36 . . . . 0.0 112.086 174.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.53 -52.41 65.68 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 123.784 0.834 . . . . 0.0 110.162 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.98 -55.93 22.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.406 1.082 . . . . 0.0 108.373 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.13 -46.73 79.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.84 1.256 . . . . 0.0 111.663 -178.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.69 -57.64 12.04 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.193 0.906 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -56.27 -49.5 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.006 -178.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.03 -40.58 78.53 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.499 0.72 . . . . 0.0 111.837 -178.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -65.78 -40.05 91.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.146 0.885 . . . . 0.0 109.122 179.073 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -60.28 -50.94 71.66 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 172.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.96 -43.98 61.64 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.827 0.727 . . . . 0.0 111.787 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.05 -53.12 60.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.92 63.11 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.822 0.737 . . . . 0.0 111.241 177.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -69.64 -14.31 62.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.664 1.186 . . . . 0.0 111.908 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.47 73.01 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.372 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 p -103.16 -55.5 2.4 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.913 0.885 . . . . 0.0 108.807 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -75.2 64.31 1.43 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.103 0.561 . . . . 0.0 109.853 179.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.63 -171.28 39.25 Favored Glycine 0 CA--C 1.523 0.572 0 O-C-N 121.067 -1.021 . . . . 0.0 112.429 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.0 165.76 36.02 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 29.92 -98.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.648 2.379 . . . . 0.0 113.435 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -44.77 -37.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.602 1.961 . . . . 0.0 113.832 -178.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -66.56 -24.93 66.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.309 0.644 . . . . 0.0 112.297 -177.244 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.91 -45.65 2.59 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.496 1.118 . . . . 0.0 113.401 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.16 -52.17 66.66 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.192 0.52 . . . . 0.0 109.962 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 ttp -59.11 -49.33 78.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 m -47.19 -53.93 11.94 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.434 1.093 . . . . 0.0 110.096 176.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -42.83 99.49 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.768 179.473 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.65 87.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.915 0.325 . . . . 0.0 111.415 -178.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.43 -40.65 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -59.25 -10.45 2.95 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -56.11 -36.73 68.5 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.31 150.91 43.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.417 1.487 . . . . 0.0 111.601 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -82.49 -84.44 0.12 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.432 1.493 . . . . 0.0 112.509 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -155.48 -53.49 0.09 Allowed 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 125.862 1.665 . . . . 0.0 108.881 179.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -48.09 -51.4 24.7 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 173.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.79 -49.85 75.81 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 126.147 1.779 . . . . 0.0 111.93 179.063 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -53.44 -53.69 47.76 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.47 0.708 . . . . 0.0 109.438 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -59.31 -44.56 92.56 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 124.357 1.063 . . . . 0.0 110.176 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.6 78.67 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.648 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.13 -49.28 70.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.83 -54.36 39.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.081 0.238 . . . . 0.0 111.346 176.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.03 -53.84 47.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.593 0.357 . . . . 0.0 110.948 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.5 -60.32 3.37 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.395 0.678 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.7 mtm -57.76 -30.07 65.32 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.823 0.849 . . . . 0.0 112.458 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -72.03 -14.5 61.89 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.742 -0.599 . . . . 0.0 112.2 176.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -128.21 54.82 1.71 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -176.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.433 -1.317 0 C-N-CA 125.858 1.663 . . . . 0.0 108.36 -171.645 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.84 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.01 -48.24 61.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.336 1.454 . . . . 0.0 111.409 -178.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.07 -43.13 60.96 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.647 0.779 . . . . 0.0 111.3 179.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.9 -44.84 60.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -51.1 -41.24 59.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -39.81 -51.92 2.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.158 0.583 . . . . 0.0 112.513 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -46.0 83.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.05 0.94 . . . . 0.0 112.127 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -59.54 -29.41 67.88 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.662 1.985 . . . . 0.0 111.164 -174.553 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -47.36 -35.61 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.705 0.802 . . . . 0.0 110.492 178.306 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.83 -34.8 11.47 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.48 -0.622 . . . . 0.0 113.252 178.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -112.57 -33.4 6.16 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.72 0.808 . . . . 0.0 111.767 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -87.25 -28.83 22.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -175.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.48 159.46 28.17 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -173.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.19 -58.8 5.18 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.236 0.614 . . . . 0.0 111.242 -177.091 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -90.14 33.98 0.87 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.301 1.04 . . . . 0.0 112.356 -179.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.76 32.82 6.07 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.555 1.074 . . . . 0.0 114.255 177.776 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -68.08 -43.33 78.8 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.959 1.704 . . . . 0.0 110.77 -177.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt 48.36 -177.7 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 129.41 3.084 . . . . 0.0 117.772 175.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.16 37.22 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.206 3.802 . . . . 0.0 104.78 169.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.05 133.0 54.74 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.204 -174.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.1 mtt 44.5 46.35 8.04 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 124.131 0.895 . . . . 0.0 110.087 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.69 4.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -156.3 137.76 13.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.839 -0.8 . . . . 0.0 109.376 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.27 166.87 28.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.754 1.221 . . . . 0.0 108.326 -178.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.84 110.7 2.1 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 125.342 1.457 . . . . 0.0 108.067 177.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.81 137.16 74.9 Favored 'Trans proline' 0 N--CA 1.443 -1.491 0 CA-C-N 120.008 1.039 . . . . 0.0 110.052 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.28 -35.21 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -30.95 100.93 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 126.832 2.053 . . . . 0.0 111.134 175.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 47.95 26.36 4.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.467 1.508 . . . . 0.0 116.199 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.295 1.7 pt20 -71.12 161.59 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.847 2.323 . . . . 0.0 105.226 172.224 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 141.21 37.97 Favored Glycine 0 C--O 1.223 -0.593 0 O-C-N 120.485 -1.384 . . . . 0.0 113.923 -168.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.92 58.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.153 0.981 . . . . 0.0 110.117 174.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -57.47 -59.06 5.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.009 176.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -53.45 -58.61 6.54 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 125.622 1.569 . . . . 0.0 108.957 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -51.22 -53.18 37.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.109 0.964 . . . . 0.0 111.124 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.58 -52.69 64.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 117.614 0.188 . . . . 0.0 110.504 -179.389 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.47 -50.7 70.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.755 0.312 . . . . 0.0 111.579 -177.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -63.68 -46.06 87.27 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.45 0.7 . . . . 0.0 111.242 -178.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -64.72 -41.81 95.7 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 122.079 -0.388 . . . . 0.0 110.335 -179.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -61.54 -41.86 97.97 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.61 -53.46 20.95 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 126.306 1.908 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -62.18 -56.1 22.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.756 0.422 . . . . 0.0 110.312 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.71 -50.62 32.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.93 0.492 . . . . 0.0 111.741 -178.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.36 -55.47 11.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.454 1.102 . . . . 0.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.39 30.4 1.56 Allowed Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.658 1.599 . . . . 0.0 111.688 -178.085 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -2.74 28.74 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.826 1.651 . . . . 0.0 110.6 177.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -143.93 161.61 38.28 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.833 0.742 . . . . 0.0 110.613 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.23 109.68 1.38 Allowed Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.632 -1.787 . . . . 0.0 108.632 -176.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.15 -49.54 18.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.312 0.958 . . . . 0.0 111.602 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.04 35.34 4.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.472 1.509 . . . . 0.0 108.618 175.033 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 70.82 -33.12 0.26 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 128.268 2.627 . . . . 0.0 114.355 178.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.32 55.4 mttm 72.18 42.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.059 1.344 . . . . 0.0 109.451 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.24 -66.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 129.827 3.251 . . . . 0.0 116.888 -176.418 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -57.57 -50.43 73.14 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.85 0.834 . . . . 0.0 110.32 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 ttp -62.6 -42.39 99.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.95 -52.09 59.22 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 118.062 0.392 . . . . 0.0 109.998 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -44.17 84.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.03 0.532 . . . . 0.0 109.595 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.3 36.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.7 m -66.19 -36.97 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.765 -178.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.55 -30.25 69.66 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.383 -0.823 . . . . 0.0 111.324 -178.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -78.15 -9.21 59.07 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.057 0.543 . . . . 0.0 111.965 177.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.57 129.98 34.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.617 1.167 . . . . 0.0 108.485 179.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -74.81 168.69 19.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.003 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -45.12 -48.12 12.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.784 0.72 . . . . 0.0 112.896 -178.133 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.7 -47.59 81.94 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 123.88 0.872 . . . . 0.0 110.972 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -64.2 -40.29 95.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.818 -0.61 . . . . 0.0 110.849 177.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -54.51 -53.6 52.27 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -60.28 -49.37 77.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.334 0.653 . . . . 0.0 110.352 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -51.78 66.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.51 -52.85 60.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.412 0.285 . . . . 0.0 111.573 176.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -51.61 -49.9 61.27 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.356 -0.215 . . . . 0.0 111.258 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -60.56 -53.5 56.72 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.369 0.668 . . . . 0.0 111.038 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.1 mtm -57.67 -32.98 67.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 124.322 1.049 . . . . 0.0 111.95 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -78.66 10.55 3.16 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.712 -0.617 . . . . 0.0 111.572 176.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -141.78 41.81 1.7 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 -177.08 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.798 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -51.33 69.27 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.711 0.755 . . . . 0.0 111.416 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.34 92.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.144 0.177 . . . . 0.0 110.962 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.61 -50.17 70.44 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.816 0.446 . . . . 0.0 111.439 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -41.0 -41.71 1.72 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 126.198 1.799 . . . . 0.0 113.717 -175.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -43.5 -41.78 4.56 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.537 1.535 . . . . 0.0 112.347 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -69.18 -18.07 63.88 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -88.38 -22.37 23.81 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.226 1.81 . . . . 0.0 111.207 -177.022 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.75 148.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.94 1.27 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -175.066 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.75 -42.27 10.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -102.31 -14.01 17.12 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.26 -165.0 51.95 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -176.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -71.02 0.3 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.114 -0.639 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -84.03 49.17 1.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.355 1.062 . . . . 0.0 112.316 -174.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.65 35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.088 0 C-N-CA 128.459 2.933 . . . . 0.0 114.847 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -90.76 -49.32 6.52 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.866 2.066 . . . . 0.0 112.31 -169.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -52.53 123.27 10.63 Favored 'General case' 0 N--CA 1.424 -1.773 0 C-N-CA 124.351 1.061 . . . . 0.0 110.188 -178.061 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.59 48.77 0.47 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.594 1.557 . . . . 0.0 111.542 -177.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 56.48 -168.47 0.1 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.63 1.172 . . . . 0.0 110.466 -176.194 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.17 60.29 4.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.47 -109.08 0.31 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 m -153.05 54.84 0.77 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.588 0.694 . . . . 0.0 110.417 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.05 160.89 24.4 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.604 1.162 . . . . 0.0 110.201 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -62.55 128.98 92.32 Favored Pre-proline 0 C--O 1.233 0.211 0 O-C-N 121.118 -0.988 . . . . 0.0 109.146 178.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.65 147.95 67.65 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 174.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 t -93.01 -37.11 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.508 0.723 . . . . 0.0 110.201 -173.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -35.74 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.126 1.77 . . . . 0.0 110.988 178.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.44 39.05 95.74 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 117.21 -1.884 . . . . 0.0 116.911 176.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.01 -49.61 73.16 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 121.465 2.633 . . . . 0.0 107.506 170.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.6 141.61 3.45 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 128.412 2.91 . . . . 0.0 110.009 171.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -41.74 6.94 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.368 1.067 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -62.13 -53.39 56.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.137 0.975 . . . . 0.0 110.217 179.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.76 -58.36 8.71 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.101 1.36 . . . . 0.0 108.401 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -53.26 -47.71 68.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.688 1.595 . . . . 0.0 110.633 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.57 -50.48 73.63 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.733 0.697 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.22 -54.69 44.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.084 0.469 . . . . 0.0 110.992 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.88 -49.77 76.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 124.8 1.24 . . . . 0.0 111.703 -178.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 -179.287 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.76 -41.39 99.19 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.94 -51.11 30.7 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 125.68 1.61 . . . . 0.0 110.18 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -72.18 -37.74 69.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.986 178.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.64 89.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.667 1.121 . . . . 0.0 110.304 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.07 -42.64 75.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.452 0.701 . . . . 0.0 109.601 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 27.12 7.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.965 1.269 . . . . 0.0 111.763 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.75 -47.44 7.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 109.26 178.296 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -76.62 153.57 35.15 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.97 163.13 15.61 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 126.396 1.95 . . . . 0.0 110.508 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.42 -80.57 1.33 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 105.487 -3.045 . . . . 0.0 105.487 174.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -79.52 37.98 0.36 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 109.861 173.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -32.53 0.21 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 129.282 3.033 . . . . 0.0 117.054 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.256 26.6 mttm 75.41 36.76 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 127.425 2.29 . . . . 0.0 109.357 -175.002 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -19.95 -64.06 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 129.384 3.073 . . . . 0.0 116.292 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.9 tpp -52.88 -54.29 36.73 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.292 0.567 . . . . 0.0 109.76 -179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.1 ttp -61.23 -48.72 80.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.33 -0.843 . . . . 0.0 108.728 177.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -46.51 -58.85 3.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.507 0.723 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -40.61 87.08 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.77 -0.581 . . . . 0.0 111.234 -178.158 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.46 80.63 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.342 0.519 . . . . 0.0 110.286 -177.473 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.62 -30.59 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.693 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -51.64 -25.9 7.99 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.998 0.817 . . . . 0.0 112.947 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.19 -23.43 66.61 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 121.68 -0.637 . . . . 0.0 111.999 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 116.17 8.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.576 1.15 . . . . 0.0 110.218 178.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -68.72 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -175.058 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -158.73 -59.9 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.732 0.813 . . . . 0.0 110.307 -177.205 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.32 -48.37 46.42 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.953 1.358 . . . . 0.0 107.714 174.026 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -53.72 -55.57 25.07 Favored 'General case' 0 N--CA 1.422 -1.835 0 C-N-CA 129.409 3.084 . . . . 0.0 109.985 176.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.7 mt -53.11 -56.08 19.04 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.102 0.477 . . . . 0.0 110.602 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -57.86 -52.57 64.93 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.303 0.573 . . . . 0.0 110.426 -179.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.58 71.23 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.94 -43.96 70.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.58 64.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.181 174.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.52 -49.04 65.61 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.471 0.308 . . . . 0.0 110.226 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -55.16 -59.91 4.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.881 0.872 . . . . 0.0 110.006 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.9 mtm -59.09 -25.63 63.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -78.77 -2.37 39.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.389 176.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -143.19 55.96 1.38 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.254 1.332 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 -172.915 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.52 0.568 . . . . 0.0 114.52 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.07 -35.04 59.11 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.571 1.185 . . . . 0.0 112.034 178.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.61 -53.31 23.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.43 -49.73 61.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.021 1.329 . . . . 0.0 110.65 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.28 -32.17 6.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.111 0.964 . . . . 0.0 113.568 -176.448 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.33 -28.87 45.49 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.324 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -74.82 -24.24 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.637 0.653 . . . . 0.0 112.272 177.596 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -82.32 -34.16 28.66 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.231 1.812 . . . . 0.0 110.069 -178.257 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.58 138.34 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.564 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -41.3 2.24 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 107.019 -2.432 . . . . 0.0 107.019 -173.322 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 t -102.0 -37.73 8.07 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.262 1.031 . . . . 0.0 109.662 175.869 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -98.47 -6.3 30.65 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -176.358 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.9 175.62 42.12 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -173.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.23 49.67 1.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.981 -1.305 . . . . 0.0 111.086 -179.217 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -178.17 -54.55 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.104 0.961 . . . . 0.0 112.615 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.94 46.01 0.16 Allowed Glycine 0 C--N 1.334 0.465 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -175.175 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 p -103.67 -66.99 0.91 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -171.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -61.9 166.63 4.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.306 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 72.41 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.859 2.064 . . . . 0.0 112.892 -176.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 117.96 4.23 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.7 mmt 64.12 -64.17 0.14 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.401 1.88 . . . . 0.0 110.91 -168.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.91 1.58 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.347 -1.901 . . . . 0.0 108.347 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -71.82 52.91 0.23 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.146 1.378 . . . . 0.0 113.804 -178.159 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.77 33.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.646 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -59.46 124.17 74.1 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.351 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -55.93 142.41 84.69 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 N-CA-C 108.842 -1.253 . . . . 0.0 108.842 174.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.1 t -92.81 -33.42 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.445 1.098 . . . . 0.0 110.328 -173.526 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -46.78 101.51 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.197 1.799 . . . . 0.0 109.158 177.424 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.46 94.04 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.937 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.08 -56.79 16.87 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 121.201 2.5 . . . . 0.0 107.608 172.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.57 140.23 3.06 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 128.237 2.827 . . . . 0.0 109.241 175.201 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.99 4.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.476 1.51 . . . . 0.0 113.133 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.53 -48.96 77.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.224 0.466 . . . . 0.0 110.42 -179.509 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -53.19 -52.85 57.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.503 1.121 . . . . 0.0 109.161 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.99 -65.72 0.6 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.516 1.127 . . . . 0.0 108.705 179.583 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.33 -58.45 0.83 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.684 1.594 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -49.32 -44.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 112.391 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -75.86 -45.74 34.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.222 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.75 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.889 1.677 . . . . 0.0 109.577 176.482 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.86 -42.9 84.88 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.32 -61.05 3.35 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 127.574 2.511 . . . . 0.0 110.707 174.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.16 -48.54 75.61 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -179.527 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.7 70.11 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.094 0.861 . . . . 0.0 111.815 179.047 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.73 -1.33 42.26 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.199 0.6 . . . . 0.0 111.225 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 40.95 92.82 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -176.616 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -138.94 31.91 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.037 0.935 . . . . 0.0 111.196 -177.019 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -153.09 151.1 29.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 176.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.94 123.48 2.79 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.33 -48.88 39.9 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 117.796 0.798 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.93 33.27 4.51 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.488 1.515 . . . . 0.0 108.743 175.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 65.46 -26.86 0.1 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 130.1 3.36 . . . . 0.0 117.867 176.429 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.292 38.6 mttm 72.16 41.54 0.63 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 125.834 1.654 . . . . 0.0 110.125 -177.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.08 -67.61 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.627 3.171 . . . . 0.0 117.111 -175.811 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -57.93 -48.71 79.12 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.758 -0.589 . . . . 0.0 110.324 -178.187 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.436 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -55.52 16.4 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 109.738 176.195 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -41.38 94.2 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.631 0.373 . . . . 0.0 110.514 -179.363 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.44 -55.05 39.76 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.73 -29.18 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.516 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -55.31 -32.21 62.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.043 0.838 . . . . 0.0 111.232 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.77 -21.15 63.45 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.94 0.496 . . . . 0.0 111.95 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.11 130.49 34.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.423 1.089 . . . . 0.0 111.275 -177.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 p -77.46 171.17 15.3 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 175.102 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -41.65 67.03 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.885 -1.135 . . . . 0.0 112.113 179.495 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.41 -57.86 6.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.333 1.063 . . . . 0.0 109.613 176.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -61.39 -49.95 74.81 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.119 1.367 . . . . 0.0 110.756 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.0 mt -53.37 -50.78 64.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.778 0.831 . . . . 0.0 110.245 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.01 -47.76 84.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.304 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.09 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.132 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.02 -51.15 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.61 -52.07 65.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.889 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -54.88 -48.03 73.52 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.03 0.532 . . . . 0.0 110.319 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -55.92 -57.46 12.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.594 0.758 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.4 mtm -61.49 -24.17 66.4 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.48 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 9.22 9.33 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.806 174.54 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -141.33 45.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -175.268 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 CA-C-O 119.85 -0.417 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -38.2 -52.48 1.46 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.834 2.054 . . . . 0.0 112.963 -177.513 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.58 41.66 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.453 1.101 . . . . 0.0 112.553 -179.504 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.87 -52.55 5.67 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.7 1.2 . . . . 0.0 108.559 177.032 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -46.09 -40.89 11.51 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.732 1.613 . . . . 0.0 112.879 -176.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -18.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.638 1.175 . . . . 0.0 113.622 177.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -88.35 -48.6 7.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.425 1.09 . . . . 0.0 109.454 174.255 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 m -60.48 -30.64 69.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.225 1.81 . . . . 0.0 110.935 -175.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 pt -49.77 -27.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.761 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.33 -35.36 3.78 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.801 0.715 . . . . 0.0 111.886 176.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.6 m -114.05 -43.59 3.23 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.36 0.664 . . . . 0.0 109.995 176.2 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -73.81 -20.95 60.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -173.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.57 -177.51 43.72 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -178.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.59 -80.41 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.062 -0.67 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.73 51.68 2.08 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.731 1.212 . . . . 0.0 110.981 -175.286 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 0.92 0.01 OUTLIER Glycine 0 CA--C 1.54 1.621 0 C-N-CA 130.149 3.738 . . . . 0.0 119.716 175.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -79.18 48.43 0.87 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.937 1.869 . . . . 0.0 112.653 -173.604 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -75.3 169.32 18.29 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -178.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.7 68.28 1.07 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 172.099 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.82 -132.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.959 1.303 . . . . 0.0 111.522 -173.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptm -69.81 73.63 0.41 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.712 -0.618 . . . . 0.0 111.621 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.82 178.12 32.16 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.068 1.318 . . . . 0.0 110.706 -179.125 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -72.81 61.84 0.56 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.818 1.247 . . . . 0.0 111.655 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.79 150.2 36.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.452 1.101 . . . . 0.0 109.913 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -64.64 124.22 85.53 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.89 117.69 5.08 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.663 1.576 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.14 -40.91 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 C-N-CA 126.551 1.94 . . . . 0.0 113.913 178.402 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -25.94 89.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.599 2.76 . . . . 0.0 112.911 179.421 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.83 44.31 97.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 117.281 -1.844 . . . . 0.0 116.06 178.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.75 -53.29 57.05 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.19 2.495 . . . . 0.0 108.471 173.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.92 151.8 6.17 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 127.917 2.675 . . . . 0.0 108.402 176.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.13 90.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.539 1.669 . . . . 0.0 112.086 -177.124 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.72 -52.74 63.03 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -47.9 -62.08 1.64 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.805 1.642 . . . . 0.0 108.577 177.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.1 mt -53.81 -59.72 4.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.943 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -43.19 -53.61 4.95 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.367 1.067 . . . . 0.0 111.7 179.316 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -58.93 -47.95 83.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.396 178.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -60.74 -43.65 97.65 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.731 179.141 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.6 mmm -55.75 -49.66 72.5 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 120.889 1.677 . . . . 0.0 109.287 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -59.97 -44.18 94.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.85 -49.3 54.99 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.739 1.162 . . . . 0.0 110.987 178.591 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -42.07 70.5 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.32 177.306 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.51 66.08 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.825 1.193 . . . . 0.0 110.7 178.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.19 -40.52 64.71 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 39.4 7.05 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 127.17 2.319 . . . . 0.0 110.845 178.789 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -94.87 -63.2 1.2 Allowed 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 174.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.67 125.59 22.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 172.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.82 -45.84 0.67 Allowed Glycine 0 C--N 1.334 0.424 0 CA-C-O 122.062 0.812 . . . . 0.0 111.222 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.76 -73.81 1.41 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 103.874 -3.691 . . . . 0.0 103.874 -170.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -76.95 113.99 15.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 163.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -41.67 -35.7 0.82 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -171.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.317 0.5 OUTLIER 63.36 47.08 4.1 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.807 1.289 . . . . 0.0 109.017 -178.833 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.58 -45.37 4.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 129.286 3.034 . . . . 0.0 113.655 -179.248 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.84 -49.8 76.27 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.197 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.27 -50.56 71.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.0 m -45.97 -59.77 2.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.048 0.939 . . . . 0.0 110.741 176.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -42.55 94.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.885 -0.579 . . . . 0.0 110.648 -177.88 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.19 -58.96 6.17 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.207 0.458 . . . . 0.0 110.653 -178.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.81 -36.35 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 122.616 0.366 . . . . 0.0 111.032 -178.403 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.88 -24.86 39.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.604 0.762 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.29 -21.65 64.77 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.783 0.719 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.86 138.54 33.88 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.319 1.048 . . . . 0.0 110.461 -178.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -83.01 171.23 14.04 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.821 0.849 . . . . 0.0 108.936 177.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.46 -47.86 56.78 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.255 -0.903 . . . . 0.0 112.797 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -54.06 -50.72 66.12 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.603 0.716 . . . . 0.0 110.52 179.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.56 -48.85 77.66 Favored 'General case' 0 N--CA 1.426 -1.663 0 C-N-CA 124.166 0.986 . . . . 0.0 110.438 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -55.36 -51.51 66.54 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.551 0.74 . . . . 0.0 110.018 179.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -56.37 -45.08 80.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.72 80.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.46 -47.07 80.39 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.19 -58.25 8.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.593 173.573 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.68 -42.6 45.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.484 0.713 . . . . 0.0 111.952 179.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -58.16 -61.44 2.56 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.3 mtm -57.77 -23.93 54.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.4 m -67.36 -17.95 64.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.704 -0.665 . . . . 0.0 112.783 176.337 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -134.58 61.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 -176.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.251 34.0 tp . . . . . 0 N--CA 1.428 -1.557 0 CA-C-O 115.563 -2.161 . . . . 0.0 105.313 -171.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.791 0 N-CA-C 115.208 0.843 . . . . 0.0 115.208 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.77 -58.34 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.175 1.39 . . . . 0.0 112.602 -173.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.96 64.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.298 0.639 . . . . 0.0 112.096 -178.085 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.87 -52.91 31.1 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -47.24 -41.59 18.84 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 123.86 0.864 . . . . 0.0 112.833 -177.647 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -43.76 -37.59 2.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.255 0.622 . . . . 0.0 112.118 177.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -46.4 65.29 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.242 1.02 . . . . 0.0 110.887 178.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.31 -29.98 70.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.732 2.013 . . . . 0.0 110.741 -174.061 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -44.57 -37.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.246 0 C-N-CA 123.772 0.829 . . . . 0.0 109.773 173.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.36 3.36 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.472 1.034 . . . . 0.0 113.636 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 m -112.11 -35.35 5.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.109 0.954 . . . . 0.0 111.708 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -89.28 -27.78 20.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 -172.683 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 162.21 38.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -177.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.61 -56.54 14.68 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -85.93 33.38 0.6 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.315 1.046 . . . . 0.0 112.85 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.46 40.58 0.12 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 127.833 2.635 . . . . 0.0 115.658 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -99.53 -28.75 13.08 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -173.444 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -69.58 130.33 42.13 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 120.168 1.349 . . . . 0.0 108.824 -175.553 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.64 44.24 0.44 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.688 1.195 . . . . 0.0 112.783 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 24.59 -134.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.151 3.381 . . . . 0.0 115.82 179.23 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtp -70.28 69.32 0.37 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 74.05 0.81 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.72 0.676 . . . . 0.0 114.12 173.041 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m 79.02 68.53 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 124.452 1.101 . . . . 0.0 113.119 173.515 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.25 139.89 38.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 169.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -57.63 124.12 66.35 Favored Pre-proline 0 C--O 1.233 0.221 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 174.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.49 142.62 70.21 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 CA-C-N 120.041 1.05 . . . . 0.0 110.115 178.65 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.53 -41.82 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 109.483 -177.015 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -29.56 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.991 2.116 . . . . 0.0 111.799 -176.573 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.24 46.0 51.83 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 117.482 -1.732 . . . . 0.0 116.267 177.833 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.03 -51.05 65.26 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 120.807 2.303 . . . . 0.0 107.4 171.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.95 140.44 3.35 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 128.285 2.85 . . . . 0.0 110.552 170.43 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.23 -43.28 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.631 1.172 . . . . 0.0 113.796 -179.113 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.61 -52.56 63.9 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 123.68 0.792 . . . . 0.0 109.819 178.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -56.89 -63.97 1.03 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.3 mt -47.78 -47.18 30.89 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.834 1.653 . . . . 0.0 111.33 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -62.32 -51.75 66.43 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.295 0.952 . . . . 0.0 111.218 178.733 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -45.6 92.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.973 -177.564 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -69.11 -43.16 75.02 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 125.563 1.545 . . . . 0.0 110.917 -177.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -67.14 -38.53 85.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.541 0.61 . . . . 0.0 109.546 178.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -61.2 -43.76 98.36 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 171.443 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.66 -40.83 48.93 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.616 1.579 . . . . 0.0 111.088 174.536 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -68.73 -44.96 72.74 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 124.002 0.921 . . . . 0.0 110.759 174.469 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.46 71.97 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.525 1.057 . . . . 0.0 109.942 175.5 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.44 5.73 14.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.44 1.096 . . . . 0.0 111.743 176.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.74 28.02 6.73 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 126.343 1.925 . . . . 0.0 113.789 -179.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.9 m -107.48 -41.65 5.01 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 117.745 0.773 . . . . 0.0 112.682 -173.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.01 75.74 0.92 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -173.597 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.51 -137.46 7.81 Favored Glycine 0 CA--C 1.525 0.687 0 O-C-N 120.981 -1.074 . . . . 0.0 110.501 177.701 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.18 171.59 33.39 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -11.63 -54.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.787 3.235 . . . . 0.0 116.874 -178.247 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -46.0 -29.68 1.54 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.655 1.182 . . . . 0.0 112.902 179.59 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -66.67 -12.16 57.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.37 -54.68 5.62 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -173.069 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -55.63 -56.87 15.26 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.091 0.948 . . . . 0.0 109.713 -178.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.3 ttp -53.91 -45.41 71.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.033 1.333 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.5 m -53.85 -55.43 26.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.061 0.944 . . . . 0.0 108.931 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -39.92 89.4 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.92 -59.74 4.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.064 0.393 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.26 -31.68 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 111.052 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -58.73 -22.85 58.66 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.62 0.646 . . . . 0.0 111.557 178.514 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -75.37 -17.07 60.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.98 0.809 . . . . 0.0 111.836 177.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.56 140.77 31.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.031 1.332 . . . . 0.0 110.982 -176.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -88.66 166.35 14.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -50.25 -39.73 45.69 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -176.275 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -56.32 -52.53 64.21 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.331 1.052 . . . . 0.0 109.37 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.79 -46.19 90.63 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.384 1.074 . . . . 0.0 109.144 178.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -53.23 -58.17 7.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.288 0.949 . . . . 0.0 109.863 179.149 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -55.86 -47.35 77.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.316 0.579 . . . . 0.0 109.685 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.38 70.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.07 -0.491 . . . . 0.0 112.272 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -48.63 63.48 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 -179.746 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.49 -52.13 60.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.363 0.415 . . . . 0.0 110.267 175.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.6 -50.35 63.22 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 119.333 -0.365 . . . . 0.0 111.092 177.053 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.82 -59.25 5.31 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.965 0.412 . . . . 0.0 110.794 -179.208 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.1 mtm -52.1 -33.23 38.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 125.619 1.568 . . . . 0.0 112.492 176.676 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -76.05 0.68 17.83 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.104 177.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -133.3 39.46 3.25 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -178.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.427 -1.607 0 C-N-CA 125.642 1.577 . . . . 0.0 107.733 -171.67 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.246 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.41 73.59 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 119.142 1.471 . . . . 0.0 111.314 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.95 69.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.53 -44.72 73.06 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.253 1.421 . . . . 0.0 110.748 -179.55 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -51.61 -35.18 40.66 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -175.198 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -47.35 -49.88 23.4 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.203 0.456 . . . . 0.0 111.277 -178.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -17.76 12.87 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.675 1.59 . . . . 0.0 114.623 -178.681 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -91.87 -23.54 19.62 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.245 1.418 . . . . 0.0 111.456 -174.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.63 139.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 175.146 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.98 -44.18 1.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.215 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.82 -37.31 10.8 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 118.761 1.281 . . . . 0.0 108.874 176.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -110.11 -24.63 10.63 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.465 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.2 162.33 37.57 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.22 -4.7 14.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -124.75 19.59 8.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.548 1.939 . . . . 0.0 109.725 178.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.09 19.29 0.12 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 128.223 2.821 . . . . 0.0 115.77 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 p -97.33 -23.02 16.32 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -168.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -70.72 132.59 45.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 117.135 -1.826 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.62 103.69 2.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 175.35 0.38 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.241 0.616 . . . . 0.0 110.765 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mmm -30.84 128.79 0.13 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.421 1.888 . . . . 0.0 113.739 -176.548 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 55.32 31.32 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 123.669 0.652 . . . . 0.0 112.086 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 42.61 54.92 4.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.393 1.477 . . . . 0.0 112.801 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.57 57.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.986 -178.863 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.04 122.22 40.66 Favored Pre-proline 0 N--CA 1.44 -0.938 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 172.151 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.96 142.66 98.22 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.163 1.242 . . . . 0.0 108.999 -176.38 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.72 -52.6 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -176.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -21.09 86.97 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.978 2.911 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 47.68 3.35 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.061 1.315 . . . . 0.0 115.701 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.275 5.7 pt20 -58.95 -30.59 68.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.477 1.639 . . . . 0.0 110.512 176.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.46 134.33 1.63 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 127.383 2.42 . . . . 0.0 108.387 171.087 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.33 74.52 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.657 2.728 . . . . 0.0 110.565 -179.797 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.76 -54.96 27.09 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -47.67 -60.71 2.36 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.754 1.222 . . . . 0.0 109.501 177.305 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.61 -53.06 57.21 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.702 2.001 . . . . 0.0 110.445 -179.362 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -56.08 -54.48 44.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.332 0.514 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -59.25 -51.13 71.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.439 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -44.11 82.7 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.642 0.656 . . . . 0.0 111.108 -178.668 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -62.69 -40.13 96.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.817 0.735 . . . . 0.0 110.238 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -58.59 -55.77 30.82 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.0 -48.43 38.49 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.354 0.978 . . . . 0.0 111.448 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -59.41 -62.17 2.08 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.72 0.808 . . . . 0.0 109.814 178.197 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.08 68.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.796 0.726 . . . . 0.0 112.06 -178.027 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.54 -28.98 69.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.27 1.428 . . . . 0.0 111.439 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 30.74 16.28 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.656 -0.524 . . . . 0.0 111.833 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 p -108.86 -70.46 0.81 Allowed 'General case' 0 C--N 1.338 0.1 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.362 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -62.9 121.51 13.68 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.828 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.06 -176.66 47.19 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 165.08 29.03 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 106.77 -2.532 . . . . 0.0 106.77 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -6.3 -91.46 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.561 2.344 . . . . 0.0 115.489 -179.708 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -63.46 -38.82 92.6 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.23 -0.919 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -60.79 -17.97 52.48 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.119 0.968 . . . . 0.0 110.767 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.98 -32.97 22.74 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.797 -0.564 . . . . 0.0 110.991 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.2 -63.28 1.11 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 175.646 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 tpt -41.98 -44.78 3.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.806 2.442 . . . . 0.0 110.981 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -42.21 -46.0 4.29 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.162 1.385 . . . . 0.0 110.938 177.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -115.32 19.8 15.29 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 121.677 -0.639 . . . . 0.0 112.226 179.394 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.0 93.28 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 164.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.5 m -91.49 24.43 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.447 1.899 . . . . 0.0 111.928 176.214 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -10.82 81.82 0.0 OUTLIER 'General case' 0 C--N 1.346 0.419 0 C-N-CA 129.865 3.266 . . . . 0.0 114.472 175.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.7 42.78 3.05 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.325 -2.216 . . . . 0.0 112.683 176.791 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.33 141.12 6.86 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.636 1.175 . . . . 0.0 109.574 174.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t -78.49 162.55 26.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.163 0.585 . . . . 0.0 111.061 -175.243 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.21 -49.22 6.62 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -174.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.15 0.98 . . . . 0.0 110.163 179.15 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.35 -48.06 83.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.782 1.233 . . . . 0.0 109.225 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.19 -57.97 10.5 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.183 -177.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -54.98 -50.17 69.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.354 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.19 74.93 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 117.992 -1.004 . . . . 0.0 112.571 -179.552 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.8 -48.87 75.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 120.322 1.419 . . . . 0.0 107.458 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -55.61 28.9 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.645 0.202 . . . . 0.0 110.687 177.364 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -49.78 -51.7 37.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.112 0.565 . . . . 0.0 110.804 178.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -58.74 -50.95 72.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.287 0.635 . . . . 0.0 110.791 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtm -62.05 -19.67 63.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.844 0.858 . . . . 0.0 112.294 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 m -89.27 7.67 34.36 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.745 1.218 . . . . 0.0 112.179 173.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.67 48.03 1.74 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 -172.086 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 CA-C-O 122.167 0.87 . . . . 0.0 114.548 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.66 -61.08 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.276 1.43 . . . . 0.0 111.399 -174.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 48.66 1.4 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.038 0.535 . . . . 0.0 110.192 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.2 mt -147.54 -58.02 0.25 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.544 2.738 . . . . 0.0 105.746 175.218 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -45.26 -40.67 7.74 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.316 1.447 . . . . 0.0 112.651 -178.355 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -43.44 -35.38 1.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.12 0.968 . . . . 0.0 112.603 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.24 -46.69 48.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.63 0.772 . . . . 0.0 110.295 178.649 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -59.71 -35.21 74.05 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.962 1.705 . . . . 0.0 110.025 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -46.46 -34.13 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.566 0.746 . . . . 0.0 110.459 175.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.15 -36.66 7.36 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.502 0.572 . . . . 0.0 112.734 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.4 -38.08 5.57 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.924 0.89 . . . . 0.0 110.972 179.419 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -81.9 -33.36 30.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -173.54 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.43 170.75 47.23 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.11 -72.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.425 0.69 . . . . 0.0 111.359 -177.144 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.62 36.02 0.69 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.04 0.936 . . . . 0.0 112.067 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.25 36.75 4.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.665 2.079 . . . . 0.0 114.539 179.112 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -113.49 -6.53 13.45 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.199 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -79.22 157.5 27.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 121.061 1.755 . . . . 0.0 110.52 -178.19 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 122.86 18.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.13 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.3 -129.38 0.09 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.7 mmt -72.62 73.05 1.05 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.586 -0.696 . . . . 0.0 110.0 177.132 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.93 -151.97 28.03 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 64.85 0.16 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.799 1.64 . . . . 0.0 112.505 -178.101 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 137.12 36.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.272 1.029 . . . . 0.0 109.17 178.252 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -56.84 124.11 62.44 Favored Pre-proline 0 C--O 1.233 0.228 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.46 143.35 88.01 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 N-CA-C 106.947 -1.982 . . . . 0.0 106.947 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 t -103.3 33.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.966 1.306 . . . . 0.0 110.411 -171.565 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 57.28 1.87 Allowed 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 124.967 1.307 . . . . 0.0 108.831 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.2 74.46 0.85 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.906 1.241 . . . . 0.0 113.203 -178.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.72 -53.48 57.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 173.366 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.5 135.35 1.8 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 127.522 2.487 . . . . 0.0 108.349 172.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.9 -45.83 15.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.37 2.085 . . . . 0.0 113.494 -176.564 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -60.5 -53.94 51.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.251 0.62 . . . . 0.0 109.839 179.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -52.35 -58.64 6.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.419 1.488 . . . . 0.0 108.386 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.1 mt -49.48 -64.31 0.85 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 127.017 2.127 . . . . 0.0 109.702 179.36 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -40.82 -58.08 1.77 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.705 1.139 . . . . 0.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -53.16 -49.82 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.675 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -60.38 -56.67 18.65 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.914 179.017 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -41.83 75.45 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.564 1.529 . . . . 0.0 110.946 178.314 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.46 -52.34 64.93 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.56 -43.91 45.99 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.954 1.74 . . . . 0.0 111.795 178.238 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.76 -60.41 2.92 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.605 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -46.21 64.96 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.044 0.384 . . . . 0.0 111.972 -177.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -77.52 7.32 5.65 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.24 30.99 79.2 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.237 0.922 . . . . 0.0 114.69 175.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -103.02 -54.69 2.57 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 118.175 0.988 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -80.16 68.14 6.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.97 -172.45 41.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.54 0.42 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -133.5 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.391 1.077 . . . . 0.0 108.67 178.698 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -50.03 -31.99 14.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.169 0.895 . . . . 0.0 111.0 176.164 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -52.95 -26.24 14.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.182 1.793 . . . . 0.0 112.663 178.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.62 63.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.822 0.449 . . . . 0.0 110.428 174.373 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ttt -67.32 -49.15 65.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.694 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.7 mmm -50.93 -46.29 60.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.869 1.667 . . . . 0.0 109.97 178.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 m -47.33 -35.49 8.14 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.092 0.557 . . . . 0.0 111.512 175.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.354 0.7 OUTLIER -114.32 23.31 12.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.71 -54.93 3.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 163.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.95 40.12 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.878 1.271 . . . . 0.0 108.588 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -17.37 -69.17 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 130.015 3.326 . . . . 0.0 117.262 -170.838 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 34.73 2.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.699 0.625 . . . . 0.0 109.922 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 126.15 16.96 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 p -92.47 167.59 11.86 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.68 0.792 . . . . 0.0 109.409 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.6 -53.96 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.691 1.196 . . . . 0.0 114.185 -176.185 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.73 -54.51 32.71 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.436 0.636 . . . . 0.0 109.955 178.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.44 -51.13 71.15 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.555 1.142 . . . . 0.0 109.652 -178.079 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -57.93 -56.7 18.53 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.165 1.386 . . . . 0.0 110.877 -177.765 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -44.09 96.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.868 0.467 . . . . 0.0 109.891 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.53 -33.93 73.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.227 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -66.87 -50.66 61.79 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 177.539 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.31 59.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 123.492 0.495 . . . . 0.0 110.041 175.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.02 -51.24 68.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.642 0.377 . . . . 0.0 110.657 178.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -53.43 -60.73 2.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.09 0.556 . . . . 0.0 110.188 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 mtm -59.27 -31.96 69.58 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.699 0.799 . . . . 0.0 112.821 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -74.4 3.25 7.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.332 175.067 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -140.74 50.19 1.67 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 C--O 1.253 1.265 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -172.253 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 116.558 1.383 . . . . 0.0 116.558 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.85 -42.26 26.04 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.14 0.576 . . . . 0.0 111.97 -177.83 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.47 89.86 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.188 0.595 . . . . 0.0 111.649 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.44 -47.18 64.85 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.072 0.949 . . . . 0.0 109.687 -179.249 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -47.06 -37.08 8.91 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -47.12 -28.25 1.71 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.779 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -88.22 -46.99 8.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 110.121 175.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m -55.19 -35.21 64.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.932 2.093 . . . . 0.0 111.293 -175.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.3 pt -54.45 -22.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.957 178.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.05 -34.24 11.61 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 118.85 0.75 . . . . 0.0 111.935 174.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 m -111.99 -42.54 3.75 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.72 0.76 . . . . 0.0 110.364 177.423 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -74.58 -22.55 58.92 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -174.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -70.8 2.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.582 1.087 . . . . 0.0 112.233 175.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.13 -77.99 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 117.097 0.448 . . . . 0.0 110.246 -178.336 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -59.97 -40.76 90.18 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 123.159 0.584 . . . . 0.0 111.831 -179.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.68 13.91 15.39 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.89 1.233 . . . . 0.0 111.221 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -67.64 -42.91 81.5 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.265 1.033 . . . . 0.0 109.733 177.002 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 41.42 -141.41 0.09 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.72 2.008 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 143.62 62.9 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 1 C-N-CA 132.768 4.427 . . . . 0.0 102.37 -175.227 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.21 -127.93 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.483 1.113 . . . . 0.0 111.22 -172.123 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.3 mmt -70.24 75.58 0.52 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.046 0.538 . . . . 0.0 110.563 -179.53 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -178.55 37.37 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.094 1.331 . . . . 0.0 110.522 -178.756 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -75.79 65.99 2.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.073 0.949 . . . . 0.0 109.037 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.39 149.86 42.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.461 1.104 . . . . 0.0 110.475 -178.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.25 118.87 30.65 Favored Pre-proline 0 N--CA 1.439 -0.986 0 C-N-CA 125.181 1.392 . . . . 0.0 109.44 177.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.98 135.19 62.87 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.647 2.231 . . . . 0.0 111.944 178.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -74.85 -39.23 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.81 0.844 . . . . 0.0 111.111 -179.142 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -31.86 94.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.122 1.769 . . . . 0.0 112.037 -176.571 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.0 2.39 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.428 1.966 . . . . 0.0 115.647 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -48.49 -58.43 4.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 123.115 1.436 . . . . 0.0 109.732 176.039 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.98 132.86 1.56 Allowed Glycine 0 C--O 1.219 -0.836 0 C-N-CA 127.872 2.653 . . . . 0.0 106.917 174.113 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.24 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 121.133 2.467 . . . . 0.0 112.432 -176.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -53.47 55.08 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.11 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -49.97 -61.11 2.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.056 1.342 . . . . 0.0 108.912 177.55 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -49.23 -64.14 0.89 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.143 1.777 . . . . 0.0 109.144 179.313 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -40.17 -55.32 2.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 119.104 0.866 . . . . 0.0 111.518 178.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.37 -43.46 92.87 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -64.64 -56.98 10.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.759 0.824 . . . . 0.0 111.258 178.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -39.27 75.71 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 119.929 1.24 . . . . 0.0 110.19 177.703 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -60.21 -54.77 41.86 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.456 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.05 -50.45 21.76 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 125.65 1.595 . . . . 0.0 110.596 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -59.47 -64.77 0.82 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.135 0.574 . . . . 0.0 109.671 177.015 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -46.25 43.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.226 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -75.11 -9.7 58.78 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.15 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.81 7.02 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 118.664 0.665 . . . . 0.0 113.346 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.5 p -120.21 -77.44 0.58 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.029 0.914 . . . . 0.0 109.436 175.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.12 123.26 16.03 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.25 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.21 -167.78 40.31 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.487 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.5 109.09 0.94 Allowed Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.215 1.388 . . . . 0.0 111.212 -175.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.2 -103.66 0.12 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.683 1.993 . . . . 0.0 112.181 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -58.15 -39.22 78.24 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.175 -0.953 . . . . 0.0 109.658 177.462 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -72.63 -31.36 65.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.884 1.274 . . . . 0.0 108.828 176.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.21 93.66 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.455 -0.778 . . . . 0.0 110.219 177.706 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.7 tpt -60.26 -53.79 53.43 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 174.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.54 -43.6 17.17 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 126.881 2.073 . . . . 0.0 110.781 179.293 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.7 m -38.82 -45.74 1.19 Allowed 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.188 1.395 . . . . 0.0 111.422 177.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -114.5 13.16 17.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.33 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 164.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.93 28.9 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.631 1.572 . . . . 0.0 111.207 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -14.16 83.64 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.418 3.487 . . . . 0.0 114.361 175.084 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 48.99 38.49 12.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 112.535 -2.121 . . . . 0.0 112.619 174.029 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.27 132.53 16.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 109.906 174.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.68 171.31 14.13 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.979 0.911 . . . . 0.0 111.592 -175.348 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -52.0 -50.69 60.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.278 -0.888 . . . . 0.0 113.019 -178.206 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -51.97 -51.99 53.44 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 124.142 0.977 . . . . 0.0 109.643 178.118 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.83 -60.4 3.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 113.697 -1.592 . . . . 0.0 108.746 179.881 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -52.9 -53.34 50.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.152 1.381 . . . . 0.0 112.318 -176.611 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.66 -51.54 69.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 -177.505 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.73 74.2 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.0 -179.381 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.03 -52.46 59.36 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.566 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.46 69.65 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.255 0.222 . . . . 0.0 110.525 176.57 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.2 -47.39 72.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.918 -0.128 . . . . 0.0 110.762 177.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -58.61 -50.3 74.33 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.286 0.634 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.6 mmt -58.59 -33.53 70.08 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.95 -0.469 . . . . 0.0 111.203 178.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 m -78.93 10.18 3.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.846 1.258 . . . . 0.0 113.15 176.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -142.67 45.68 1.6 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 178.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 N--CA 1.435 -1.217 0 C-N-CA 126.455 1.902 . . . . 0.0 106.05 -175.185 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 116.354 1.302 . . . . 0.0 116.354 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.2 5.42 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.594 1.157 . . . . 0.0 111.446 -179.7 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.69 86.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.791 0.836 . . . . 0.0 111.515 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mp -66.07 -47.85 72.93 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -46.66 -39.7 11.82 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.019 0.928 . . . . 0.0 113.475 -175.868 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -47.25 -36.99 9.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.721 1.209 . . . . 0.0 111.882 178.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -66.52 -45.72 78.58 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.93 0.871 . . . . 0.0 110.375 178.581 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.29 -35.51 79.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.172 1.789 . . . . 0.0 110.055 -174.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -47.47 -37.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 123.271 0.628 . . . . 0.0 109.599 175.233 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.54 -30.82 6.56 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.808 -0.996 . . . . 0.0 113.423 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -113.88 -43.89 3.22 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.759 1.279 . . . . 0.0 110.002 -178.717 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -76.34 -22.17 55.25 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -176.049 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.32 172.55 49.13 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -173.858 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.64 -71.72 0.08 Allowed 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.557 . . . . 0.0 110.98 -177.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -86.91 60.45 6.23 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.953 0.901 . . . . 0.0 109.946 -178.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 4.65 70.69 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 1 C-N-CA 130.705 4.003 . . . . 0.0 115.679 179.129 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -139.06 -1.2 1.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.29 121.24 15.27 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.813 1.188 . . . . 0.0 110.546 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 66.49 2.49 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.136 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.44 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.288 1.835 . . . . 0.0 111.879 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.2 71.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.526 1.13 . . . . 0.0 108.251 179.148 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -172.57 55.12 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -178.026 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 m -71.04 63.02 0.31 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.003 1.321 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 134.43 54.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.353 0.661 . . . . 0.0 109.833 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -55.23 125.93 59.76 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 174.135 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -53.18 135.47 59.69 Favored 'Trans proline' 0 N--CA 1.444 -1.441 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 176.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.86 -41.29 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -178.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -29.31 93.52 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.941 2.496 . . . . 0.0 111.737 176.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 56.41 41.98 88.74 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 117.281 1.673 . . . . 0.0 117.281 176.317 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -54.59 -53.63 52.02 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 120.504 2.152 . . . . 0.0 108.187 172.552 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.12 136.52 2.17 Favored Glycine 0 C--O 1.222 -0.64 0 CA-C-N 112.108 -2.315 . . . . 0.0 109.892 174.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.77 -42.8 8.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.761 1.781 . . . . 0.0 113.04 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.89 -51.07 66.25 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 123.391 0.676 . . . . 0.0 110.328 179.119 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.1 -58.5 7.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.354 1.062 . . . . 0.0 108.621 178.651 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -55.12 -48.14 74.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.078 1.351 . . . . 0.0 110.8 -178.72 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.14 -51.64 69.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.391 0.541 . . . . 0.0 110.636 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.14 -51.29 69.72 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.684 0.278 . . . . 0.0 111.471 -177.455 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.02 -41.26 95.47 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.89 0.876 . . . . 0.0 110.833 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.261 3.3 ppp? -67.79 -42.25 81.94 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 179.111 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -57.24 -39.98 76.65 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 170.051 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.43 -62.96 3.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 126.772 2.129 . . . . 0.0 109.358 174.074 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -59.97 -40.36 88.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.801 0.84 . . . . 0.0 110.463 178.74 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.29 81.03 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 123.145 0.578 . . . . 0.0 110.844 178.249 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.43 -45.31 55.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.462 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.56 -5.76 33.29 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.666 1.127 . . . . 0.0 112.175 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -70.66 -56.24 6.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.086 0.943 . . . . 0.0 109.468 178.864 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.14 107.93 0.82 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.559 179.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.64 -77.84 1.23 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-O 122.04 0.8 . . . . 0.0 111.842 178.076 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 -64.73 0.25 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.84 2.162 . . . . 0.0 115.295 175.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.55 -93.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.505 2.322 . . . . 0.0 114.214 -172.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -58.4 -24.3 59.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.908 -1.12 . . . . 0.0 112.159 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.49 -24.22 67.54 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.378 2.271 . . . . 0.0 110.262 177.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -10.57 -65.16 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 128.612 2.765 . . . . 0.0 116.483 -178.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ptp -49.05 -53.24 21.14 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.866 0.841 . . . . 0.0 110.91 179.458 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.0 ttp -64.14 -52.48 58.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.496 1.518 . . . . 0.0 108.131 177.351 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -45.14 -57.28 4.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.817 0.847 . . . . 0.0 110.619 -178.836 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -46.54 89.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 110.335 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.23 13.21 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 117.985 0.357 . . . . 0.0 110.721 -178.447 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.53 -33.83 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 O-C-N 121.879 -0.513 . . . . 0.0 111.533 -179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.06 -25.7 59.1 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.316 0.962 . . . . 0.0 111.185 178.582 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.43 -11.48 59.95 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.47 171.55 9.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.433 1.093 . . . . 0.0 110.291 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.0 p -120.98 167.65 12.35 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.254 1.022 . . . . 0.0 110.81 -178.122 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -45.49 -47.66 14.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -176.033 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.16 -50.23 73.47 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.581 0.752 . . . . 0.0 110.777 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.87 -47.69 82.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.115 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.71 -58.65 6.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.275 0.63 . . . . 0.0 111.11 -177.454 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -52.64 -46.73 67.23 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.504 0.721 . . . . 0.0 109.203 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.02 79.51 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -49.27 64.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 105.763 -1.939 . . . . 0.0 105.763 -178.741 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.31 -50.06 65.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.802 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.11 -52.14 59.63 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 117.945 0.339 . . . . 0.0 110.698 177.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -54.01 -59.99 3.92 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.034 0.445 . . . . 0.0 110.204 178.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.8 mtm -56.38 -25.96 51.41 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.64 1.176 . . . . 0.0 113.292 179.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -76.41 -6.12 50.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.263 176.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -133.76 52.08 2.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -178.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 -171.46 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.271 1.028 . . . . 0.0 112.441 -177.248 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.73 79.06 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.213 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.33 -50.89 68.46 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -179.133 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -47.53 -36.46 10.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.601 0.761 . . . . 0.0 112.931 -178.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -57.61 -15.4 7.37 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -178.754 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -87.61 -31.12 19.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.502 1.046 . . . . 0.0 110.986 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.3 m -71.84 -28.67 63.72 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.49 1.516 . . . . 0.0 111.955 -173.056 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 pt -47.9 -31.94 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.865 0.866 . . . . 0.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.11 -34.24 5.86 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.099 0.857 . . . . 0.0 112.297 177.744 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -114.23 -40.33 3.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.487 0.715 . . . . 0.0 110.24 177.074 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -78.77 -5.11 52.43 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -174.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.19 -152.12 47.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 178.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.16 -0.17 39.08 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.06 -85.61 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.185 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.61 41.5 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -102.99 17.34 24.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.822 1.649 . . . . 0.0 110.179 177.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 175.75 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.075 1.879 . . . . 0.0 116.075 -175.875 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.99 73.44 1.42 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 170.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.55 -142.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.782 1.233 . . . . 0.0 111.966 -172.707 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.8 mtt -67.32 83.3 0.15 Allowed 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.583 -0.698 . . . . 0.0 110.671 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.16 172.01 48.16 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.506 1.05 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.41 109.42 0.3 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.602 1.161 . . . . 0.0 109.708 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.21 51.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.206 1.002 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.52 111.16 2.63 Favored Pre-proline 0 N--CA 1.436 -1.136 0 C-N-CA 125.814 1.646 . . . . 0.0 108.092 175.387 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -61.55 103.73 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.661 1.574 . . . . 0.0 108.913 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 t -37.02 -44.6 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 126.178 1.791 . . . . 0.0 113.24 -177.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 106.19 0.21 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.793 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.19 -38.14 2.38 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.556 -1.136 . . . . 0.0 114.065 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.261 8.0 pm0 -75.78 156.41 34.57 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.857 1.828 . . . . 0.0 109.377 178.885 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.22 159.17 15.69 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -168.529 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.57 2.22 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 127.352 2.261 . . . . 0.0 112.781 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -56.62 -43.46 80.24 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.489 1.515 . . . . 0.0 111.238 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -79.74 -52.29 8.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.7 mt -50.61 -62.35 1.65 Allowed 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 125.381 1.472 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -44.13 -53.59 6.31 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 124.477 1.111 . . . . 0.0 112.374 -179.555 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -57.27 -44.8 84.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.351 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.79 -50.53 62.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.248 -0.882 . . . . 0.0 112.948 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -37.58 78.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.696 1.589 . . . . 0.0 109.95 175.261 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.29 -46.94 88.24 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.184 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.96 -49.68 65.57 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.945 1.259 . . . . 0.0 111.506 178.217 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -58.11 -57.96 10.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.116 0.966 . . . . 0.0 108.399 177.025 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.2 -43.98 67.6 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.901 -0.499 . . . . 0.0 111.787 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.3 -34.4 78.04 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.427 1.091 . . . . 0.0 110.661 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.4 24.82 20.55 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.116 0.865 . . . . 0.0 111.5 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -98.1 -67.92 0.82 Allowed 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.59 74.18 1.06 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.19 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.57 -175.95 27.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -177.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 173.09 39.64 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.77 -51.02 23.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.812 0.845 . . . . 0.0 112.373 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -60.47 -22.84 63.95 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.677 0.791 . . . . 0.0 112.651 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -95.37 -21.97 18.03 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.489 1.116 . . . . 0.0 111.486 -177.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -30.76 -56.47 0.21 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -175.584 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.9 mmm -55.04 -55.36 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 110.497 -179.24 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -57.86 -44.53 86.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.538 0.735 . . . . 0.0 109.635 177.793 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -52.15 -52.34 52.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.151 0.98 . . . . 0.0 108.721 -179.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.94 95.73 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.221 -0.299 . . . . 0.0 110.622 178.062 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.53 65.34 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.096 0.407 . . . . 0.0 110.311 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.1 m -71.87 -27.58 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.668 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -33.76 53.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.723 1.147 . . . . 0.0 110.383 175.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -68.39 -20.83 64.71 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.2 122.63 34.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.196 1.398 . . . . 0.0 109.948 -178.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -170.12 2.64 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.347 0.659 . . . . 0.0 109.808 177.474 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.24 -53.65 50.72 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.43 -47.8 75.43 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 122.238 1.018 . . . . 0.0 110.596 -177.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -56.64 -55.16 37.53 Favored 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 125.827 1.651 . . . . 0.0 109.453 178.498 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.71 -47.73 76.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.419 0.688 . . . . 0.0 111.063 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.01 -49.52 73.44 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.46 78.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.64 -50.56 68.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.45 68.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.221 175.095 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -53.82 -51.7 62.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.83 0.452 . . . . 0.0 111.117 -179.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -52.91 -61.78 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.31 0.576 . . . . 0.0 110.57 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.1 mtm -62.72 -30.27 71.29 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -61.2 -6.87 2.31 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.351 0.978 . . . . 0.0 113.218 177.278 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.48 -11.65 58.34 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.56 1.073 . . . . 0.0 110.63 177.227 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 125.963 1.705 . . . . 0.0 109.983 -178.101 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.45 -45.82 6.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.49 1.516 . . . . 0.0 113.39 -176.469 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.36 64.64 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 110.681 178.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.62 -39.81 95.31 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.555 1.542 . . . . 0.0 110.122 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.93 -22.78 6.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.333 1.053 . . . . 0.0 113.16 -179.317 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -56.23 -32.67 64.66 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.422 -0.799 . . . . 0.0 110.745 175.052 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -95.81 37.62 1.21 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.866 0.866 . . . . 0.0 110.191 176.728 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -142.33 -46.06 0.33 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 126.036 1.735 . . . . 0.0 110.042 -174.724 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -52.33 139.36 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 171.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.49 -44.66 1.46 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.206 -1.957 . . . . 0.0 108.206 -173.199 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.7 -45.22 6.77 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.678 1.239 . . . . 0.0 107.873 175.815 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.31 -32.44 14.3 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.169 0.587 . . . . 0.0 111.823 -179.708 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.41 172.77 45.82 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.706 0.669 . . . . 0.0 111.994 178.137 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.92 -47.92 8.46 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.407 1.483 . . . . 0.0 112.185 -178.091 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.73 -98.98 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 174.739 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.11 56.44 0.05 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 176.334 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -152.88 1.9 0.3 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.053 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -73.47 167.76 20.63 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.869 1.668 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.56 124.35 22.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.275 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.25 -133.35 0.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ptm -77.0 63.3 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.92 -169.89 24.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 -173.583 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 134.47 43.22 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.972 0.909 . . . . 0.0 110.861 179.382 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.88 141.3 17.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.029 0.532 . . . . 0.0 110.114 -179.073 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.78 136.27 86.85 Favored Pre-proline 0 N--CA 1.437 -1.083 0 C-N-CA 125.365 1.466 . . . . 0.0 107.864 172.497 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.27 138.08 35.4 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 108.185 -1.506 . . . . 0.0 108.185 177.345 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -36.25 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 C-N-CA 122.44 0.296 . . . . 0.0 110.532 -179.593 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -37.69 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.29 1.836 . . . . 0.0 112.277 -177.235 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.02 42.14 99.71 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 117.253 -1.859 . . . . 0.0 115.644 177.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.11 -64.99 0.72 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 121.45 2.625 . . . . 0.0 108.008 174.633 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.04 129.79 1.13 Allowed Glycine 0 CA--C 1.523 0.577 0 CA-C-N 112.888 -1.96 . . . . 0.0 108.971 173.646 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.2 -41.53 3.83 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.773 1.787 . . . . 0.0 112.886 -178.532 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.37 -55.23 37.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.06 0.544 . . . . 0.0 110.451 176.698 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.96 -58.66 7.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.077 1.351 . . . . 0.0 108.281 -179.376 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.0 mt -52.96 -46.33 68.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.099 1.36 . . . . 0.0 111.07 -178.764 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -60.94 -51.24 70.12 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 118.71 0.687 . . . . 0.0 110.952 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -60.22 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.939 -179.347 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.1 -51.45 69.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.094 0.958 . . . . 0.0 111.066 179.466 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -63.97 -42.19 97.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.476 0.71 . . . . 0.0 110.579 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.55 -42.28 98.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.669 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.47 -48.46 75.99 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 177.369 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.4 -53.04 62.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 123.559 0.744 . . . . 0.0 109.063 176.591 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.45 -46.58 66.5 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.397 0.679 . . . . 0.0 111.848 178.734 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.72 -39.14 90.85 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.097 0.559 . . . . 0.0 110.194 178.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 -8.62 45.86 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.759 1.171 . . . . 0.0 111.366 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -62.62 -63.69 1.14 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.568 1.147 . . . . 0.0 108.303 179.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.14 66.28 3.71 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 175.202 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.85 -118.06 0.44 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -177.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.43 -52.2 2.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.26 0.933 . . . . 0.0 114.478 176.505 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.41 -145.04 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.168 0.987 . . . . 0.0 110.657 -178.22 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -41.98 -39.95 2.05 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.423 1.489 . . . . 0.0 111.21 177.53 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -41.3 -33.14 0.35 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 128.661 2.785 . . . . 0.0 113.216 176.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.16 -47.33 0.28 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.889 1.676 . . . . 0.0 114.554 -179.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.9 mmt -58.37 -54.31 48.41 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.627 0.727 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.1 ttp -58.07 -50.73 72.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.319 1.048 . . . . 0.0 108.624 178.185 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -45.45 -58.27 3.48 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.036 0.934 . . . . 0.0 109.559 177.394 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -41.08 92.7 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.017 -178.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.69 7.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.387 0.539 . . . . 0.0 110.533 -179.088 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.4 m -64.89 -30.51 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.991 -0.443 . . . . 0.0 111.379 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -55.71 -25.31 39.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.585 0.629 . . . . 0.0 111.709 178.403 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -70.23 -19.22 63.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.536 0.607 . . . . 0.0 111.963 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.93 39.4 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.488 1.115 . . . . 0.0 111.522 -177.643 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -78.11 167.92 20.68 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 110.043 178.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.64 -49.19 48.18 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.012 -1.055 . . . . 0.0 112.679 -179.396 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.44 -49.66 66.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.545 0.738 . . . . 0.0 110.268 178.421 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.99 -51.09 68.19 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.743 -179.067 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -51.29 -55.36 18.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.575 1.15 . . . . 0.0 109.454 178.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -49.53 73.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.372 0.606 . . . . 0.0 109.977 178.409 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.72 71.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.702 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -73.25 -39.36 65.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -178.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.18 70.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.285 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -52.9 -51.9 59.58 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.09 -57.76 8.59 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.613 0.765 . . . . 0.0 110.344 178.13 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.17 -29.21 65.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.64 0.376 . . . . 0.0 111.76 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -75.83 -3.63 36.19 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.577 177.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -142.0 57.74 1.48 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 -178.063 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 N--CA 1.434 -1.273 0 C-N-CA 126.426 1.891 . . . . 0.0 108.059 -172.458 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 117.042 -1.456 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -153.61 145.9 23.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 119.572 1.078 . . . . 0.0 109.408 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -19.91 -60.31 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 128.299 2.857 . . . . 0.0 115.685 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.38 -46.37 13.15 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.657 0.783 . . . . 0.0 112.107 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.778 0.431 . . . . 0.0 111.289 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.55 -44.05 79.2 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -50.66 -40.68 54.09 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -44.04 -40.63 4.94 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -73.47 -42.91 61.32 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.247 1.022 . . . . 0.0 111.091 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.91 -32.77 61.46 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 129.016 2.926 . . . . 0.0 111.241 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -45.15 -37.62 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.026 0.931 . . . . 0.0 109.794 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.0 -36.44 27.5 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 119.247 -0.752 . . . . 0.0 113.384 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.14 -23.71 10.28 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.51 1.155 . . . . 0.0 112.842 -176.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -107.41 -21.11 13.04 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 -174.12 55.29 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.37 -72.98 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.238 -0.566 . . . . 0.0 110.35 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.74 51.31 1.86 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.757 1.223 . . . . 0.0 110.153 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 22.39 60.29 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.605 3.003 . . . . 0.0 116.218 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -141.06 -4.57 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -68.75 158.89 33.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 121.266 1.848 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.55 122.56 16.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.4 -139.38 0.08 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 mtt -73.74 72.12 1.49 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.39 -165.25 29.9 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -65.27 116.09 6.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.054 0.942 . . . . 0.0 109.344 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.39 149.76 48.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.88 0.872 . . . . 0.0 108.781 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.13 133.59 92.77 Favored Pre-proline 0 N--CA 1.433 -1.321 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.23 142.25 41.14 Favored 'Trans proline' 0 N--CA 1.445 -1.349 0 N-CA-C 108.998 -1.193 . . . . 0.0 108.998 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -70.57 -36.92 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.993 1.317 . . . . 0.0 108.99 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -20.08 92.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.07 2.548 . . . . 0.0 112.418 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.93 48.68 3.38 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 126.72 2.105 . . . . 0.0 115.419 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -53.68 -54.52 36.67 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.031 1.916 . . . . 0.0 108.357 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.82 143.19 3.63 Favored Glycine 0 C--O 1.223 -0.576 0 C-N-CA 127.71 2.576 . . . . 0.0 109.946 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.24 -41.23 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.988 1.315 . . . . 0.0 111.847 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.02 -55.56 32.53 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.081 0.553 . . . . 0.0 110.252 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.98 -59.77 4.57 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 125.622 1.569 . . . . 0.0 109.15 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 mt -54.68 -45.75 73.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.742 1.217 . . . . 0.0 110.57 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.11 -53.38 59.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.641 0.655 . . . . 0.0 110.363 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.91 -47.02 86.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.742 0.246 . . . . 0.0 111.541 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -65.71 -49.47 68.37 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.937 -0.477 . . . . 0.0 111.268 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.44 -40.34 96.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.44 0.564 . . . . 0.0 110.012 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.45 -48.86 79.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.13 -50.9 32.36 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 125.375 1.464 . . . . 0.0 110.285 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.38 -58.68 6.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.885 0.874 . . . . 0.0 110.19 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.18 -45.96 61.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.682 0.674 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.27 -35.79 71.48 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.716 0.806 . . . . 0.0 111.122 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.2 14.64 35.32 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.573 1.082 . . . . 0.0 111.628 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -40.13 42.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.965 0.906 . . . . 0.0 108.77 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -106.22 136.49 45.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.83 -169.84 41.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.18 173.63 33.98 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 107.27 -2.332 . . . . 0.0 107.27 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -40.57 -69.08 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.797 1.239 . . . . 0.0 112.841 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -60.44 -25.03 65.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.13 -21.92 60.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.709 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.65 4.25 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.5 ttt -57.38 -54.27 48.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.336 0.588 . . . . 0.0 110.013 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 ttp -54.73 -45.64 74.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.588 0.755 . . . . 0.0 110.144 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -57.61 6.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.836 1.254 . . . . 0.0 108.797 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -36.03 82.13 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.763 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.7 64.39 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.981 0.809 . . . . 0.0 110.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.77 -29.46 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.516 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -47.37 -32.03 4.52 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.972 0.909 . . . . 0.0 112.461 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -57.56 -34.16 68.88 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 123.22 0.608 . . . . 0.0 111.527 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 123.3 18.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.142 0.977 . . . . 0.0 110.636 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.93 -69.57 0.51 Allowed 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -157.67 -55.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.888 0.475 . . . . 0.0 110.502 -176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -54.21 -49.56 69.13 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -53.71 -53.14 56.35 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 127.92 2.488 . . . . 0.0 109.88 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.93 -55.16 33.72 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.585 0.629 . . . . 0.0 110.446 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.15 -51.92 67.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.595 0.712 . . . . 0.0 110.772 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.47 73.99 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.232 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.34 -45.52 79.94 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -52.72 64.39 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.435 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -52.29 -51.43 58.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.213 0.205 . . . . 0.0 111.181 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.52 -57.35 12.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.133 0.973 . . . . 0.0 109.996 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 mtm -57.22 -29.7 63.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.953 0.501 . . . . 0.0 111.672 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -70.89 -3.85 21.33 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 117.814 -1.088 . . . . 0.0 113.096 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.29 45.48 2.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 N--CA 1.426 -1.629 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.081 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.417 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.36 -149.86 0.42 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.29 -62.32 4.49 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.94 -48.06 32.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.877 1.271 . . . . 0.0 112.063 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -48.01 63.27 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.427 0.691 . . . . 0.0 111.506 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.28 -41.37 70.1 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 124.029 0.932 . . . . 0.0 109.77 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.04 -30.6 11.11 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.163 1.385 . . . . 0.0 112.441 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -46.8 -26.34 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.928 0.891 . . . . 0.0 112.371 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -84.47 -25.3 29.0 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.901 1.281 . . . . 0.0 112.386 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.96 -35.41 14.72 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 111.056 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 pt -52.98 142.3 5.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -46.56 1.15 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.92 -53.69 4.48 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.361 1.58 . . . . 0.0 107.935 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.07 -14.43 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.84 163.21 13.41 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.752 0.692 . . . . 0.0 111.979 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.89 62.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.575 1.15 . . . . 0.0 112.439 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -83.4 -3.67 57.76 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.095 0.958 . . . . 0.0 112.92 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.32 58.15 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.238 -0.757 . . . . 0.0 113.808 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -95.91 -17.57 20.96 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -78.7 45.4 0.59 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.656 1.571 . . . . 0.0 113.205 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.62 -113.04 0.75 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.49 -159.32 0.62 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 128.385 2.674 . . . . 0.0 104.803 170.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -81.44 65.24 6.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.617 1.099 . . . . 0.0 108.779 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.85 170.06 18.1 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.8 m -71.98 65.4 0.55 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.069 0.948 . . . . 0.0 111.3 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.92 154.62 17.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.792 1.237 . . . . 0.0 109.588 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.26 115.16 12.08 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 144.34 97.25 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 CA-C-N 119.93 1.011 . . . . 0.0 109.639 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -51.4 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 tptp 39.12 -96.91 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.822 1.649 . . . . 0.0 108.796 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.02 59.14 0.44 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -41.35 -53.91 3.17 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.072 1.415 . . . . 0.0 109.823 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.07 132.45 1.34 Allowed Glycine 0 CA--C 1.524 0.655 0 CA-C-N 112.19 -2.277 . . . . 0.0 108.888 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -44.81 9.84 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 119.767 1.783 . . . . 0.0 113.438 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.47 -48.91 77.53 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 118.786 0.721 . . . . 0.0 110.0 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -60.16 3.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.108 1.763 . . . . 0.0 108.809 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.23 -46.73 82.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.549 1.54 . . . . 0.0 110.418 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.87 -52.21 66.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.38 -50.69 72.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -60.51 -50.75 72.33 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.794 0.838 . . . . 0.0 111.367 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -63.71 -40.16 96.09 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.026 -0.421 . . . . 0.0 110.052 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -59.96 -44.5 94.4 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.79 -53.33 22.25 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 125.937 1.732 . . . . 0.0 109.559 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.88 -49.45 76.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.884 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.07 61.49 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.146 0.578 . . . . 0.0 111.784 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.96 -38.46 86.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.424 0.69 . . . . 0.0 110.813 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.88 2.33 36.61 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.536 1.065 . . . . 0.0 111.384 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.95 89.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.218 1.009 . . . . 0.0 109.077 176.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -106.74 142.3 36.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -161.81 35.58 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 119.153 0.888 . . . . 0.0 111.442 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.32 -169.6 38.46 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 106.447 -2.661 . . . . 0.0 106.447 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.4 -76.59 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.986 0.893 . . . . 0.0 111.455 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -53.0 -38.54 62.4 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.368 0.604 . . . . 0.0 111.535 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -50.42 -31.27 14.53 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.954 1.301 . . . . 0.0 111.21 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.54 -41.03 6.14 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.07 -52.04 65.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.519 0.676 . . . . 0.0 109.994 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.0 ttp -57.27 -50.56 72.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.607 1.163 . . . . 0.0 108.63 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -48.73 -55.61 10.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.777 1.231 . . . . 0.0 109.747 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -43.38 90.61 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.331 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.42 -59.66 5.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.201 0.455 . . . . 0.0 110.865 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.3 m -62.58 -30.16 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.617 -0.677 . . . . 0.0 111.877 -179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.98 -25.82 58.93 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.13 0.877 . . . . 0.0 111.237 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -19.29 62.76 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.666 0.666 . . . . 0.0 111.832 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.08 132.74 35.38 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.85 1.26 . . . . 0.0 111.469 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -79.63 167.89 20.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -46.11 -45.17 16.23 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -57.33 -48.74 78.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 C-N-CA 124.621 1.168 . . . . 0.0 110.255 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.91 -45.66 81.14 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.255 1.822 . . . . 0.0 110.479 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.5 -52.99 51.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -60.83 -41.67 96.23 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.811 -0.556 . . . . 0.0 110.297 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.42 75.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -52.9 63.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 119.216 0.916 . . . . 0.0 108.738 177.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.07 74.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.656 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.15 -53.92 46.72 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.134 0.574 . . . . 0.0 111.45 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.16 -59.92 3.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.6 mtm -57.53 -46.65 83.61 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.453 1.101 . . . . 0.0 111.537 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -73.93 30.73 0.08 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 120.03 -1.669 . . . . 0.0 113.205 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -153.64 34.66 0.45 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.433 -1.316 0 C-N-CA 126.616 1.966 . . . . 0.0 107.51 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.409 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -74.58 50.21 0.42 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.94 -59.68 2.19 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.211 -0.931 . . . . 0.0 113.91 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -37.7 -55.22 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 113.545 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.02 -37.32 52.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.408 1.083 . . . . 0.0 112.05 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.69 -52.88 6.71 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 108.397 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.57 -43.09 7.83 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 125.661 1.584 . . . . 0.0 112.947 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -47.05 -30.27 2.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -46.18 37.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.807 0.813 . . . . 0.0 110.233 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -58.56 -31.29 67.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.1 1.76 . . . . 0.0 109.984 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.7 mt -43.75 -37.3 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.278 0 C-N-CA 124.429 1.092 . . . . 0.0 110.949 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.05 -38.79 6.24 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.342 0.496 . . . . 0.0 112.519 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.0 m -106.89 -36.98 6.49 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -87.05 -16.61 35.12 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.5 174.64 46.46 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.394 -1.883 . . . . 0.0 108.394 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 46.13 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.186 -1.185 . . . . 0.0 112.477 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 179.93 -47.13 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.062 1.345 . . . . 0.0 112.356 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.35 53.54 0.21 Allowed Glycine 0 C--N 1.335 0.479 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.0 p -110.88 -57.7 2.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.173 1.389 . . . . 0.0 114.139 -172.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -66.71 31.66 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -167.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.57 21.93 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.569 2.348 . . . . 0.0 117.261 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 33.88 -123.67 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.0 1.72 . . . . 0.0 113.269 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.37 79.68 0.25 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.544 0.688 . . . . 0.0 111.825 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.08 -55.53 3.14 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.814 1.197 . . . . 0.0 115.669 171.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -151.13 46.3 0.83 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 118.997 1.398 . . . . 0.0 113.541 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.83 141.54 49.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.779 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -60.81 130.46 90.79 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.28 140.13 62.68 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 121.045 1.163 . . . . 0.0 111.456 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -82.7 -32.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.567 1.147 . . . . 0.0 110.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -37.95 99.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.758 1.623 . . . . 0.0 111.66 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.74 44.43 60.56 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 117.537 -1.702 . . . . 0.0 115.585 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.06 -57.37 10.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 121.103 2.451 . . . . 0.0 110.325 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.44 150.68 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 127.148 2.308 . . . . 0.0 109.376 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.87 88.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.677 1.738 . . . . 0.0 111.176 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -59.69 -58.06 10.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.38 -62.31 1.56 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 126.618 1.967 . . . . 0.0 109.319 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.9 mt -53.11 -62.21 1.8 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.714 0.806 . . . . 0.0 109.62 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.04 -51.97 12.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 119.616 1.098 . . . . 0.0 112.042 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -57.0 -46.89 81.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.678 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -61.25 -56.23 22.96 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.131 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.16 70.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 120.518 1.508 . . . . 0.0 110.576 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -61.26 -46.78 88.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.279 0.491 . . . . 0.0 110.687 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.8 -49.76 64.55 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.278 0.942 . . . . 0.0 111.122 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -60.82 -53.91 51.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.485 0.714 . . . . 0.0 109.63 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.77 72.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.964 0.506 . . . . 0.0 111.32 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.95 -36.73 85.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.948 0.899 . . . . 0.0 110.249 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.82 18.17 28.27 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.407 1.003 . . . . 0.0 111.735 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -89.4 -63.52 1.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -76.77 67.37 2.83 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.343 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.52 -145.18 5.81 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.267 0.937 . . . . 0.0 110.795 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.85 -145.91 13.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -87.79 0.05 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.326 1.05 . . . . 0.0 111.899 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -51.65 -32.79 30.81 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 119.645 1.112 . . . . 0.0 110.943 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -46.48 -25.83 0.75 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.141 2.576 . . . . 0.0 112.762 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.38 -40.67 50.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.817 -0.552 . . . . 0.0 110.731 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.9 -52.77 63.99 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.2 mmm -52.87 -52.0 59.03 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.107 1.363 . . . . 0.0 110.151 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 m -48.54 -57.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.437 1.495 . . . . 0.0 108.961 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -41.5 93.77 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -54.78 43.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.876 0.307 . . . . 0.0 110.479 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.24 -33.46 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.446 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -29.79 39.31 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.945 0.793 . . . . 0.0 111.579 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -68.17 -19.98 64.84 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.2 27.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.071 1.348 . . . . 0.0 110.549 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -89.7 171.91 9.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.536 1.134 . . . . 0.0 109.825 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -50.28 -47.68 55.33 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.249 -0.907 . . . . 0.0 112.641 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.45 -54.7 24.26 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-O 122.037 0.922 . . . . 0.0 109.872 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.51 -47.48 85.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.728 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -57.29 -48.48 78.8 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.726 1.21 . . . . 0.0 109.723 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -58.19 -47.74 82.49 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.15 86.35 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.0 -50.6 71.41 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.18 -57.24 11.16 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.222 0.326 . . . . 0.0 110.796 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.55 -47.48 63.4 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.676 0.39 . . . . 0.0 111.378 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.57 -57.8 11.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.372 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.3 mtm -59.4 -26.99 65.61 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.857 0.863 . . . . 0.0 112.952 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -66.01 -19.97 66.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.623 0.647 . . . . 0.0 112.565 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -118.04 48.49 1.39 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 19.0 tp . . . . . 0 N--CA 1.43 -1.426 0 CA-C-O 116.375 -1.774 . . . . 0.0 108.939 -170.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.083 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -39.84 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.055 2.542 . . . . 0.0 116.4 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.88 -64.2 0.9 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 126.202 1.858 . . . . 0.0 114.465 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.32 -51.4 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.43 1.492 . . . . 0.0 112.392 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.1 89.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.885 0.474 . . . . 0.0 112.252 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.45 -49.77 51.82 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 123.535 0.734 . . . . 0.0 109.666 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -46.25 -38.99 9.23 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -44.43 -37.3 3.33 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 111.922 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.75 34.35 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.024 0.916 . . . . 0.0 110.218 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -57.27 -38.3 73.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.15 2.18 . . . . 0.0 110.467 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -47.16 -34.49 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.058 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.3 -36.72 10.85 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.256 0.455 . . . . 0.0 112.4 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.19 -38.4 6.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.564 0.746 . . . . 0.0 110.831 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -79.51 -21.68 44.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.65 46.7 73.77 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.266 0.936 . . . . 0.0 114.49 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.67 -70.19 0.08 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.252 1.421 . . . . 0.0 112.324 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.36 31.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.264 1.026 . . . . 0.0 112.303 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 29.2 47.24 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.601 2.525 . . . . 0.0 116.169 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -135.78 -18.7 1.62 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.91 150.54 47.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.78 1.173 . . . . 0.0 109.729 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 125.92 25.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.31 -131.11 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.29 69.7 1.61 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.01 30.48 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 p -66.11 111.86 3.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.32 1.048 . . . . 0.0 109.498 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.39 130.24 47.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.864 1.265 . . . . 0.0 108.62 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 110.04 1.09 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.604 1.561 . . . . 0.0 109.389 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.68 113.77 1.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.12 2.547 . . . . 0.0 114.678 -175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -45.8 -43.35 4.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 125.335 1.454 . . . . 0.0 110.654 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -29.88 87.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.29 2.636 . . . . 0.0 111.353 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.11 52.84 9.71 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.952 1.263 . . . . 0.0 115.895 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -53.29 -50.57 64.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 123.631 1.682 . . . . 0.0 108.041 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.46 153.16 6.02 Favored Glycine 0 C--O 1.227 -0.291 1 C-N-CA 131.406 4.336 . . . . 0.0 106.239 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.55 98.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.813 0.806 . . . . 0.0 110.822 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.83 -54.94 40.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.279 0.632 . . . . 0.0 109.887 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.42 -56.75 12.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 125.918 1.687 . . . . 0.0 109.679 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.41 -65.45 0.56 Allowed 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -42.9 -49.94 5.83 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.184 0.994 . . . . 0.0 112.409 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -53.34 -47.94 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.756 0.253 . . . . 0.0 110.82 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.62 -47.64 53.21 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 117.492 -1.242 . . . . 0.0 112.104 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 121.316 1.871 . . . . 0.0 110.152 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.2 -47.84 72.6 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.92 -51.92 42.55 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.341 0.972 . . . . 0.0 111.085 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -58.73 -55.58 33.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 109.456 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.55 75.41 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.513 -0.742 . . . . 0.0 111.976 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.11 -39.13 86.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.273 1.029 . . . . 0.0 109.676 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.25 30.39 8.26 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.416 1.008 . . . . 0.0 110.954 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -100.62 -71.4 0.71 Allowed 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.74 134.66 53.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 174.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.32 -172.55 44.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.07 162.24 26.12 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 107.319 -2.312 . . . . 0.0 107.319 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -49.04 -55.8 10.96 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.426 1.113 . . . . 0.0 111.598 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -57.19 -23.46 47.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -89.74 -1.78 58.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.837 1.255 . . . . 0.0 111.464 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.93 58.89 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.688 1.131 . . . . 0.0 113.46 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -55.72 -56.18 23.56 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.308 0.575 . . . . 0.0 109.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.2 ttp -52.12 -47.4 65.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.39 1.076 . . . . 0.0 110.171 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.4 m -54.16 -52.79 60.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.046 0.938 . . . . 0.0 109.03 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -40.85 90.23 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 122.124 -0.36 . . . . 0.0 110.417 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -56.3 23.96 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.115 0.416 . . . . 0.0 110.15 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.03 -30.55 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.698 -0.626 . . . . 0.0 111.6 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -31.3 62.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.005 0.82 . . . . 0.0 109.991 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -79.45 -11.71 59.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.208 0.603 . . . . 0.0 112.359 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.64 143.2 26.63 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.748 1.219 . . . . 0.0 110.363 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -87.62 171.44 10.47 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.31 -41.24 65.45 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 0.0 112.486 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -59.9 -52.55 64.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.668 1.187 . . . . 0.0 109.668 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.82 -50.36 72.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.737 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -56.26 -52.79 63.18 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 124.704 1.201 . . . . 0.0 111.534 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -56.7 -45.52 81.77 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 118.351 0.523 . . . . 0.0 110.393 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.83 74.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.72 -48.22 69.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.96 -55.65 25.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.09 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -53.49 -45.74 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.04 0.536 . . . . 0.0 111.039 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -56.46 -59.62 4.71 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.62 -26.7 67.21 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.515 0.726 . . . . 0.0 112.945 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 p -68.02 -18.93 64.85 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.258 -0.902 . . . . 0.0 112.481 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -106.74 41.87 1.38 Allowed 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.312 0.645 . . . . 0.0 110.971 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.426 -1.641 0 C-N-CA 126.335 1.854 . . . . 0.0 106.032 177.753 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 117.394 -1.289 . . . . 0.0 107.622 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -155.33 -101.63 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.195 0.998 . . . . 0.0 108.811 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.26 -57.33 3.67 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.108 1.337 . . . . 0.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.56 -51.47 15.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.937 0.895 . . . . 0.0 112.685 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.95 88.97 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.112 -0.368 . . . . 0.0 111.739 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.92 -44.02 94.17 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.776 1.23 . . . . 0.0 110.255 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -51.58 -43.73 62.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -30.24 -64.6 0.12 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 126.551 1.94 . . . . 0.0 113.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -53.1 -37.09 61.43 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -61.99 -24.63 67.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.347 1.459 . . . . 0.0 111.104 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -49.09 -34.16 6.44 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 123.475 0.71 . . . . 0.0 109.563 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.54 -36.88 6.32 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.018 0.818 . . . . 0.0 113.076 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.4 m -113.01 -31.4 6.69 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.094 0.947 . . . . 0.0 111.475 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.84 -19.71 17.97 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.73 165.09 34.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.69 -61.77 2.0 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 123.808 0.843 . . . . 0.0 111.063 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -90.4 36.93 0.89 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.915 0.886 . . . . 0.0 112.032 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.71 36.99 1.83 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.47 1.986 . . . . 0.0 114.175 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -83.29 -41.41 18.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.789 1.636 . . . . 0.0 113.508 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -64.78 131.16 46.05 Favored 'General case' 0 N--CA 1.421 -1.886 0 C-N-CA 123.841 0.857 . . . . 0.0 110.707 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.5 41.21 0.25 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.154 1.382 . . . . 0.0 111.555 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 44.46 -142.34 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.138 1.775 . . . . 0.0 111.765 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.1 mmt -115.47 43.04 2.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.62 1.168 . . . . 0.0 108.38 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.3 44.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.001 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 48.79 45.0 22.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.839 0.855 . . . . 0.0 112.221 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.06 146.66 54.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.863 0.465 . . . . 0.0 110.751 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 132.51 95.05 Favored Pre-proline 0 C--O 1.234 0.269 0 N-CA-C 102.913 -2.995 . . . . 0.0 102.913 170.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -57.57 139.12 89.2 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 N-CA-C 108.977 -1.201 . . . . 0.0 108.977 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -62.62 -43.73 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -27.8 89.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 128.28 2.632 . . . . 0.0 112.194 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.75 41.78 5.88 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.547 -1.14 . . . . 0.0 115.84 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.313 5.5 pt20 -58.6 -36.24 73.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.432 1.616 . . . . 0.0 110.531 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.18 135.55 2.26 Favored Glycine 0 C--O 1.218 -0.903 0 C-N-CA 126.203 1.859 . . . . 0.0 111.586 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.98 -36.61 50.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.573 2.187 . . . . 0.0 112.362 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.28 -55.63 23.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -49.14 -61.03 2.29 Favored 'General case' 0 N--CA 1.458 -0.031 0 C-N-CA 125.898 1.679 . . . . 0.0 108.857 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.69 -50.02 66.77 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.314 2.246 . . . . 0.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.21 -47.52 85.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.482 1.037 . . . . 0.0 110.837 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -60.44 -52.78 63.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.657 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.0 -41.98 81.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.8 0.84 . . . . 0.0 110.905 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -67.16 -42.24 84.65 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.673 0.67 . . . . 0.0 109.799 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -40.46 97.67 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.48 -63.69 2.06 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 127.533 2.492 . . . . 0.0 110.178 172.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -60.29 -49.92 75.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.875 -1.163 . . . . 0.0 110.256 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.31 72.77 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.38 0.672 . . . . 0.0 112.074 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.56 -45.15 60.64 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.72 34.93 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.147 0.879 . . . . 0.0 111.866 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 p -68.3 -60.99 2.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -76.35 74.31 3.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.93 -177.36 42.17 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.74 162.46 9.27 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.711 1.148 . . . . 0.0 110.912 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 42.3 -118.41 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.301 1.84 . . . . 0.0 111.116 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.24 -32.83 68.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 124.092 0.957 . . . . 0.0 111.873 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -73.48 -13.03 60.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.0 0.92 . . . . 0.0 110.927 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.0 80.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.232 0.469 . . . . 0.0 111.493 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.6 mtm -58.07 -56.13 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.354 0.662 . . . . 0.0 109.459 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ttp -52.78 -51.54 60.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.712 1.205 . . . . 0.0 109.077 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -47.97 -57.65 5.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.248 1.019 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -37.74 87.48 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.812 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.16 2.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.518 0.599 . . . . 0.0 110.407 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.8 m -63.56 -28.49 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.787 -0.571 . . . . 0.0 112.054 -179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.48 -29.01 14.92 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.284 0.947 . . . . 0.0 112.169 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -63.59 -30.31 71.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.832 0.742 . . . . 0.0 111.89 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.54 128.98 36.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.849 1.26 . . . . 0.0 111.363 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -86.3 175.77 8.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -47.44 -44.58 25.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.54 -51.36 69.77 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.913 0.863 . . . . 0.0 110.32 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.03 -52.02 67.57 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 126.528 1.931 . . . . 0.0 109.866 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.97 -55.13 29.99 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.58 0.752 . . . . 0.0 109.869 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.46 -49.85 69.12 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.955 0.902 . . . . 0.0 109.714 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.08 74.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.973 -0.537 . . . . 0.0 112.35 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.31 -46.3 70.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.75 -52.28 64.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.61 -49.98 66.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.393 0.277 . . . . 0.0 110.947 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.86 -59.78 4.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 110.201 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.5 mtm -54.11 -29.29 44.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 112.43 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -74.29 -1.82 22.36 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.696 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.56 50.12 1.88 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.253 1.285 0 CA-C-O 115.821 -2.038 . . . . 0.0 106.11 -171.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.07 152.66 3.06 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.337 1.055 . . . . 0.0 110.425 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.0 -69.74 2.42 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -54.72 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.116 1.366 . . . . 0.0 111.758 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.14 75.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 122.393 0.277 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.79 -43.42 88.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.398 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.49 -30.64 42.18 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.27 -34.56 57.73 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.901 -0.499 . . . . 0.0 111.423 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -82.32 6.27 17.51 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.606 0.762 . . . . 0.0 113.002 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -120.51 -37.32 3.04 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.946 1.698 . . . . 0.0 109.173 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.52 151.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.435 1.094 . . . . 0.0 108.19 172.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.7 -51.61 3.59 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.505 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.4 t -76.26 -46.84 26.12 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.845 1.822 . . . . 0.0 107.116 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -76.42 -21.75 55.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.363 1.465 . . . . 0.0 112.006 176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.64 -128.15 9.48 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 106.727 -2.549 . . . . 0.0 106.727 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.97 -70.15 0.83 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -84.71 49.91 1.8 Allowed 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 125.005 1.322 . . . . 0.0 110.981 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 28.8 47.88 0.08 OUTLIER Glycine 0 CA--C 1.532 1.151 0 C-N-CA 128.092 2.758 . . . . 0.0 116.296 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -107.6 -18.98 13.7 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.02 121.45 14.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 120.035 1.289 . . . . 0.0 110.929 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.24 41.93 0.55 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.89 0.876 . . . . 0.0 109.604 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.12 -114.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 131.212 3.805 . . . . 0.0 118.295 -170.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.7 mtm -61.69 91.99 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.86 59.28 4.82 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.895 1.236 . . . . 0.0 114.801 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m 58.9 55.6 4.47 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.125 0.97 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 146.3 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.643 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -63.72 143.51 98.02 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.14 146.3 86.53 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 N-CA-C 108.34 -1.446 . . . . 0.0 108.34 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 t -93.41 -29.29 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.459 0.703 . . . . 0.0 110.932 -174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -36.45 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.309 1.844 . . . . 0.0 111.432 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.4 47.16 51.63 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.115 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -53.5 -50.55 65.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.875 2.337 . . . . 0.0 108.956 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.09 155.15 7.01 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 128.701 3.048 . . . . 0.0 109.202 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.11 99.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.062 0.931 . . . . 0.0 111.972 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.73 -53.2 57.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -50.51 -61.51 2.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 125.825 1.65 . . . . 0.0 109.002 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -52.64 -61.51 2.24 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.149 0.98 . . . . 0.0 109.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -44.07 -52.65 6.99 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.168 0.895 . . . . 0.0 111.74 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.06 -46.65 85.05 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.94 0.15 . . . . 0.0 110.793 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.23 -57.26 13.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.506 0.722 . . . . 0.0 111.542 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.31 86.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.156 1.344 . . . . 0.0 111.202 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -60.85 -46.74 89.4 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.31 77.11 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.277 0.942 . . . . 0.0 111.127 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.38 -53.72 53.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.24 77.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.755 0.822 . . . . 0.0 111.787 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -61.71 -36.56 81.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.907 0.883 . . . . 0.0 109.719 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.48 29.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 p -93.33 -65.4 1.0 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -74.94 71.28 2.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.81 170.11 41.1 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.47 160.81 11.13 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 108.538 -1.825 . . . . 0.0 108.538 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 34.06 -114.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.647 1.979 . . . . 0.0 112.684 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -53.69 -31.58 48.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.545 1.538 . . . . 0.0 112.984 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -78.55 -6.65 56.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.474 0.71 . . . . 0.0 111.873 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.34 -41.77 66.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.854 0.752 . . . . 0.0 111.078 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.1 -47.9 83.56 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.33 0.652 . . . . 0.0 109.733 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 mtm -58.53 -52.61 64.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -47.47 -56.13 7.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.042 0.537 . . . . 0.0 109.685 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -47.97 78.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.767 0.712 . . . . 0.0 110.778 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.27 -60.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.919 0.327 . . . . 0.0 111.074 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 m -70.91 -23.42 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.752 -0.593 . . . . 0.0 112.415 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -59.4 -29.84 68.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.04 1.291 . . . . 0.0 109.928 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -73.41 -12.4 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.28 -168.2 2.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.454 1.502 . . . . 0.0 109.214 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.0 m -157.31 176.96 12.0 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.897 1.679 . . . . 0.0 108.254 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -44.03 -53.26 6.45 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -173.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.08 -54.68 14.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.557 1.143 . . . . 0.0 110.521 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.7 -51.59 68.74 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.996 -1.457 . . . . 0.0 110.268 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.47 -49.82 73.54 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.953 1.301 . . . . 0.0 111.14 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -58.62 -50.5 73.59 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.72 78.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.93 -51.6 67.47 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.23 -54.77 39.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.724 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -50.4 -43.99 54.83 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.21 0.604 . . . . 0.0 111.223 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -57.69 -60.78 3.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.401 0.619 . . . . 0.0 109.889 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.7 mtm -59.61 -24.56 63.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.137 0.975 . . . . 0.0 113.334 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.0 m -67.54 -17.64 64.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 123.813 0.845 . . . . 0.0 112.719 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -131.64 64.32 1.59 Allowed 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 26.5 tp . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 116.462 -1.733 . . . . 0.0 107.814 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.402 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 117.264 -1.35 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -150.21 169.03 22.3 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.72 0.808 . . . . 0.0 108.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -29.57 -53.26 0.17 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.751 2.119 . . . . 0.0 114.549 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.52 98.93 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.767 0.784 . . . . 0.0 112.594 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.06 57.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -49.8 -48.5 50.65 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 125.325 1.45 . . . . 0.0 111.636 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -47.31 -31.8 4.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.376 1.07 . . . . 0.0 113.747 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -48.49 -39.72 24.06 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.959 0.345 . . . . 0.0 110.923 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -62.91 -22.66 66.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.98 -23.86 22.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.818 1.247 . . . . 0.0 111.36 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.61 141.59 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.01 -42.44 1.9 Allowed Glycine 0 CA--C 1.521 0.468 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -96.76 -40.99 8.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.628 1.214 . . . . 0.0 108.65 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -105.56 -27.96 11.06 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.57 -159.1 20.39 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.63 -47.0 28.34 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.25 1.025 . . . . 0.0 112.757 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -85.44 -65.06 1.05 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.208 0.603 . . . . 0.0 109.91 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.64 41.79 0.03 OUTLIER Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.964 1.745 . . . . 0.0 109.851 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 p -101.53 -38.91 7.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -172.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -58.96 134.73 57.22 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 124.139 0.976 . . . . 0.0 113.195 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 115.11 7.93 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.66 -122.82 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.938 0.895 . . . . 0.0 110.445 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.1 83.42 0.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.67 -167.35 38.57 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -69.34 57.81 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.152 1.781 . . . . 0.0 113.406 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 137.24 57.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 110.048 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.32 119.61 29.18 Favored Pre-proline 0 N--CA 1.435 -1.185 0 C-N-CA 124.528 1.131 . . . . 0.0 108.063 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.23 136.84 55.1 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.888 1.725 . . . . 0.0 110.197 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -85.1 -35.05 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.935 0.894 . . . . 0.0 109.585 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.56 113.42 0.64 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.451 1.1 . . . . 0.0 108.744 176.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.0 77.99 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 116.941 -2.033 . . . . 0.0 117.596 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.51 -48.11 82.91 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.176 2.988 . . . . 0.0 108.154 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 143.19 4.27 Favored Glycine 0 C--O 1.219 -0.786 0 C-N-CA 128.886 3.136 . . . . 0.0 109.988 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.76 -48.25 15.41 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.181 1.392 . . . . 0.0 114.654 -177.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.32 73.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.731 0.696 . . . . 0.0 109.899 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.22 2.21 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.058 1.743 . . . . 0.0 107.904 177.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.0 mt -53.31 -63.42 1.15 Allowed 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.585 1.954 . . . . 0.0 109.221 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -41.69 -53.0 3.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.5 0.72 . . . . 0.0 110.956 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -59.17 -44.36 92.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.09 -44.73 71.91 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.154 -0.926 . . . . 0.0 112.433 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -41.51 90.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 121.251 1.841 . . . . 0.0 108.75 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -55.73 -44.43 77.52 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.411 ' CA ' ' HB3' ' A' ' 49' ' ' TYR . . . -43.66 -67.05 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 128.789 3.09 . . . . 0.0 110.71 173.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.46 -49.17 78.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.909 -1.145 . . . . 0.0 110.43 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.92 74.51 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.569 0.747 . . . . 0.0 111.747 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.06 -42.41 66.29 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.04 -15.09 40.28 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.983 0.801 . . . . 0.0 111.267 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -61.27 -61.13 2.77 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.411 ' HB3' ' CA ' ' A' ' 43' ' ' GLY . 55.0 t80 -76.58 72.22 3.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.73 179.97 30.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.03 162.39 35.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 106.996 -2.441 . . . . 0.0 106.996 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -43.75 -55.18 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.106 0.953 . . . . 0.0 113.5 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -59.86 -26.92 66.23 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -92.26 -1.96 56.76 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.156 1.383 . . . . 0.0 111.069 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.56 -44.87 66.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.991 0.814 . . . . 0.0 112.11 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 ptp -59.21 -46.07 89.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.687 0.395 . . . . 0.0 110.934 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.5 ttp -61.3 -50.25 73.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -46.68 -53.11 12.35 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.701 0.8 . . . . 0.0 109.618 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -43.31 99.1 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.178 0.899 . . . . 0.0 110.765 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.113 0.415 . . . . 0.0 110.618 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.2 m -78.71 -21.38 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.49 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -53.97 -35.51 61.87 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.079 1.308 . . . . 0.0 109.76 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -63.83 -22.16 66.78 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.696 0.798 . . . . 0.0 112.244 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.72 121.15 27.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.127 1.371 . . . . 0.0 111.127 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -82.75 -176.98 6.56 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.93 -49.57 62.86 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.51 -52.78 60.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.975 0.893 . . . . 0.0 109.302 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.5 -51.07 69.89 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.305 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 mt -57.19 -51.02 71.0 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.373 0.669 . . . . 0.0 110.496 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -57.56 -44.21 85.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.16 87.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.29 -0.256 . . . . 0.0 111.641 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.4 -49.64 77.02 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.9 53.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.938 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -48.67 -51.74 26.85 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.84 0.856 . . . . 0.0 111.279 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -49.8 -63.48 1.1 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.675 0.79 . . . . 0.0 110.211 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.3 mtm -61.82 -24.35 66.82 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -79.82 1.36 27.2 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.961 -1.018 . . . . 0.0 112.631 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -135.42 48.6 2.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -174.135 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.422 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 34.57 39.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.859 2.464 . . . . 0.0 116.694 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.19 -65.62 1.58 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.431 -0.793 . . . . 0.0 111.731 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.55 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.151 1.781 . . . . 0.0 113.184 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.9 71.94 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 118.539 0.609 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -41.05 -42.0 1.83 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.584 1.554 . . . . 0.0 113.839 -176.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -48.57 -39.5 23.88 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.918 1.287 . . . . 0.0 111.636 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -65.79 -22.65 66.59 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.319 1.048 . . . . 0.0 113.112 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -87.21 -24.78 24.31 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.525 1.53 . . . . 0.0 111.155 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.65 146.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 -47.95 1.33 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.0 -44.69 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.974 1.387 . . . . 0.0 107.419 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -93.5 -32.32 14.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.71 -172.28 14.48 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -69.44 0.28 Allowed 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -69.61 -48.96 58.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.892 0.877 . . . . 0.0 109.302 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.81 48.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 C-N-CA 126.478 1.99 . . . . 0.0 109.97 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -98.2 -27.37 14.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.761 2.024 . . . . 0.0 115.181 -173.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -80.5 144.02 32.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 119.834 1.197 . . . . 0.0 111.203 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.8 90.61 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.525 0.73 . . . . 0.0 110.375 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.64 143.78 3.62 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.303 0.641 . . . . 0.0 110.065 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.0 mtp 47.13 35.72 3.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.391 1.076 . . . . 0.0 111.413 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.52 34.33 27.15 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.976 1.274 . . . . 0.0 113.171 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -163.73 -28.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.51 143.55 40.28 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.69 142.84 98.05 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -66.06 150.24 85.42 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -92.48 -33.07 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 122.971 0.509 . . . . 0.0 111.363 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 113.65 0.86 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.63 33.73 83.39 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.057 -1.968 . . . . 0.0 116.64 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.88 -55.38 35.86 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 122.048 2.924 . . . . 0.0 107.828 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.35 142.47 3.41 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 111.983 -2.371 . . . . 0.0 109.535 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.3 76.69 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 119.344 1.572 . . . . 0.0 112.138 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -49.67 72.22 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -50.27 -61.05 2.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.366 1.066 . . . . 0.0 108.905 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.57 -60.06 3.8 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.398 1.079 . . . . 0.0 109.393 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -43.75 -57.53 3.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 119.566 1.076 . . . . 0.0 111.231 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.65 -49.27 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.317 -1.311 . . . . 0.0 110.711 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.39 -55.61 26.22 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.08 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -41.26 80.23 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 120.361 1.437 . . . . 0.0 110.668 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -62.71 -47.86 81.76 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.64 34.66 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.78 1.657 . . . . 0.0 110.664 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.1 -59.02 6.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.742 0.817 . . . . 0.0 109.164 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.62 55.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.104 0.561 . . . . 0.0 112.096 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.53 -39.07 85.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.628 0.771 . . . . 0.0 110.916 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.9 12.71 27.22 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.679 1.133 . . . . 0.0 111.647 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -41.6 26.19 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -96.34 151.57 19.4 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.81 -164.14 31.13 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.38 112.11 1.15 Allowed Glycine 0 CA--C 1.531 1.066 0 CA-C-N 117.76 0.78 . . . . 0.0 112.105 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 46.95 -107.2 0.16 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.797 1.639 . . . . 0.0 111.359 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -52.15 -35.41 48.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.969 1.707 . . . . 0.0 111.791 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -67.84 -5.52 17.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.974 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.83 98.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.926 0.784 . . . . 0.0 110.454 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -62.22 -53.11 59.92 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 tpt -48.68 -52.69 22.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.077 1.751 . . . . 0.0 109.289 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 m -53.32 -54.88 30.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.284 1.034 . . . . 0.0 110.043 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -40.65 76.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.635 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.47 8.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.01 0.368 . . . . 0.0 110.518 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -66.28 -32.58 58.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 121.874 -0.516 . . . . 0.0 112.336 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -54.9 -24.19 22.34 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.79 0.836 . . . . 0.0 112.436 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.19 -17.8 61.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.79 0.723 . . . . 0.0 112.092 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.7 179.07 6.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.836 1.254 . . . . 0.0 111.099 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 t -127.0 162.94 24.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 110.074 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -42.98 -49.87 5.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.095 1.358 . . . . 0.0 113.964 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -55.86 -44.36 77.99 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.836 0.854 . . . . 0.0 111.057 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.41 -54.19 46.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.67 -50.17 55.46 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.238 1.015 . . . . 0.0 112.233 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -50.6 70.44 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.352 0.596 . . . . 0.0 109.689 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.43 75.1 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.287 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp -65.68 -49.88 66.97 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.77 -54.04 47.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.556 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.68 -51.73 62.28 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.372 -0.205 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -54.16 -57.01 12.75 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.321 1.048 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.11 -26.91 69.04 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.805 -0.559 . . . . 0.0 112.101 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -76.87 6.06 6.79 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.186 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -134.07 43.54 2.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 -174.109 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.403 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.26 110.18 0.2 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.125 2.17 . . . . 0.0 115.414 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.11 -69.51 1.3 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.759 1.647 . . . . 0.0 114.255 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.07 -57.98 9.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.431 1.492 . . . . 0.0 114.111 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.62 63.9 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.16 0.584 . . . . 0.0 111.774 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.95 -56.72 4.6 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -48.1 -41.24 25.78 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.616 1.166 . . . . 0.0 113.8 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.6 -32.24 12.37 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.778 0.717 . . . . 0.0 112.522 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -44.73 53.87 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 122.758 1.266 . . . . 0.0 110.166 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -33.36 69.44 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 129.342 3.057 . . . . 0.0 110.938 -175.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -46.03 -35.87 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.78 0.832 . . . . 0.0 109.332 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.47 -39.28 10.01 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.882 -0.954 . . . . 0.0 113.028 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 m -116.87 -12.14 10.79 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.714 1.257 . . . . 0.0 112.555 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -121.49 -5.79 9.27 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.04 -160.47 38.6 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 121.162 -0.961 . . . . 0.0 111.576 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.79 -55.5 5.43 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -80.49 45.57 0.78 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.194 1.397 . . . . 0.0 113.097 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 25.83 53.54 0.06 OUTLIER Glycine 0 CA--C 1.533 1.178 0 C-N-CA 127.947 2.689 . . . . 0.0 114.713 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -121.89 -109.06 0.34 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.024 0.912 . . . . 0.0 111.653 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt 41.06 110.93 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.954 3.302 . . . . 0.0 114.966 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.43 68.22 2.08 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.65 -91.45 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.373 1.469 . . . . 0.0 111.436 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 mmt -75.46 70.58 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.79 -172.28 54.83 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -64.59 69.2 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.079 1.752 . . . . 0.0 113.247 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 123.27 20.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.218 1.007 . . . . 0.0 110.288 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 131.26 63.98 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.94 93.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.709 1.606 . . . . 0.0 111.526 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 t -27.9 -47.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 129.371 3.068 . . . . 0.0 113.436 177.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -31.47 95.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.459 2.304 . . . . 0.0 111.12 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 42.74 97.26 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 117.824 -1.542 . . . . 0.0 116.942 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.15 -50.8 68.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.096 1.948 . . . . 0.0 106.75 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 143.74 3.76 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 128.573 2.987 . . . . 0.0 108.082 173.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -42.4 76.29 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.249 2.524 . . . . 0.0 111.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.11 -57.86 11.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.155 0.502 . . . . 0.0 109.715 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.76 -57.94 7.14 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 126.025 1.73 . . . . 0.0 109.614 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.07 -61.02 2.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 108.644 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -45.8 -55.07 7.04 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.312 0.96 . . . . 0.0 112.119 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -53.35 -46.19 69.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.166 0.291 . . . . 0.0 110.881 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -67.09 -42.04 85.31 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.395 1.078 . . . . 0.0 111.404 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmt -58.68 -47.86 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 120.884 1.675 . . . . 0.0 108.62 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -58.24 -44.84 88.46 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.96 -64.77 1.59 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 127.865 2.65 . . . . 0.0 111.409 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -65.67 -51.73 57.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.66 -1.27 . . . . 0.0 109.772 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.37 65.4 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.977 -0.452 . . . . 0.0 111.761 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -93.22 20.2 7.23 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.698 0.399 . . . . 0.0 111.598 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.15 31.54 3.09 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.991 1.281 . . . . 0.0 113.562 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -99.59 -43.73 6.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.562 1.145 . . . . 0.0 108.396 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -95.06 135.33 36.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.69 42.51 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 119.999 1.272 . . . . 0.0 111.447 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.5 170.68 27.65 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.383 -2.287 . . . . 0.0 107.383 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -50.35 -55.16 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.971 0.885 . . . . 0.0 110.297 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.27 -22.02 50.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.436 1.094 . . . . 0.0 113.151 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -92.75 -24.57 18.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.078 0.951 . . . . 0.0 112.094 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.58 -58.43 0.49 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.6 ttt -54.31 -53.8 48.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.671 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -55.44 -47.91 75.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.814 0.846 . . . . 0.0 109.552 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.0 m -52.36 -53.71 41.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.034 0.934 . . . . 0.0 109.11 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.38 98.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.812 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.76 -60.07 4.42 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.086 0.403 . . . . 0.0 110.781 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.24 -31.83 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.802 -0.561 . . . . 0.0 111.081 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.12 -24.58 59.3 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.403 -0.81 . . . . 0.0 112.044 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -75.89 -7.39 54.42 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.878 0.763 . . . . 0.0 112.229 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.64 -169.32 1.68 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.863 1.265 . . . . 0.0 111.173 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -149.22 158.36 44.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.683 1.193 . . . . 0.0 107.951 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -40.46 -49.13 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -51.97 -53.64 39.04 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 122.028 0.918 . . . . 0.0 109.97 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.16 -48.5 81.28 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.221 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.5 mt -55.48 -50.87 68.77 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.487 1.115 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -58.87 -45.88 89.12 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.95 76.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.31 -50.06 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.97 -51.34 69.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.032 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.41 -52.21 47.97 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.612 0.365 . . . . 0.0 110.752 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -52.84 -62.45 1.64 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.176 0.991 . . . . 0.0 110.442 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.48 -22.66 66.42 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -87.17 11.46 13.97 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.099 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -137.98 43.78 2.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.422 -1.864 0 C-N-CA 127.459 2.304 . . . . 0.0 105.844 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 118.349 -0.834 . . . . 0.0 108.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -58.22 149.4 24.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.215 0.606 . . . . 0.0 109.618 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.59 -71.39 2.53 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 107.388 -2.285 . . . . 0.0 107.388 -176.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.63 -47.9 19.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.969 1.707 . . . . 0.0 111.949 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.96 -35.89 16.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.475 1.11 . . . . 0.0 112.914 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.44 -47.84 6.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -44.6 -43.68 8.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.805 1.242 . . . . 0.0 112.198 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -42.06 -38.77 1.75 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -79.63 -41.71 26.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.863 0.756 . . . . 0.0 110.705 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.57 -30.98 33.74 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.517 2.327 . . . . 0.0 112.031 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.02 -38.86 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.844 1.258 . . . . 0.0 110.157 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.26 -41.94 3.08 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.053 0.835 . . . . 0.0 112.773 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 m -111.42 -45.65 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.261 1.03 . . . . 0.0 110.699 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -87.16 -4.04 59.09 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.67 -178.09 32.83 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 120.837 -1.165 . . . . 0.0 111.1 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -51.27 65.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -157.95 76.75 0.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.749 0.819 . . . . 0.0 108.803 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.65 -27.2 0.06 OUTLIER Glycine 0 CA--C 1.523 0.585 0 C-N-CA 119.337 -1.411 . . . . 0.0 115.942 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t 67.74 85.44 0.14 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.879 1.339 . . . . 0.0 111.081 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -57.92 163.62 2.62 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.95 72.15 1.59 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -172.1 0.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.967 1.307 . . . . 0.0 111.558 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -23.89 111.71 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.714 2.006 . . . . 0.0 113.611 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.67 77.96 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 123.697 0.665 . . . . 0.0 113.369 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m 57.73 55.1 5.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.005 0.922 . . . . 0.0 109.798 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 142.42 29.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.71 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -54.33 121.64 32.79 Favored Pre-proline 0 N--CA 1.438 -1.051 0 C-N-CA 125.652 1.581 . . . . 0.0 107.813 173.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.01 131.73 47.73 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 121.037 1.158 . . . . 0.0 111.51 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.3 t -80.0 -32.17 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.487 1.115 . . . . 0.0 109.764 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -37.65 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.723 2.409 . . . . 0.0 109.952 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 38.38 96.3 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.32 -54.0 50.89 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.401 2.101 . . . . 0.0 107.448 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.56 145.08 4.05 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 127.98 2.705 . . . . 0.0 110.347 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.66 -44.37 37.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.067 0.947 . . . . 0.0 112.976 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -64.64 -51.75 60.96 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.524 0.602 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -51.19 -58.47 6.05 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-O 122.108 0.956 . . . . 0.0 108.68 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.4 mt -53.31 -61.54 2.23 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -43.9 -51.86 7.25 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.336 1.054 . . . . 0.0 111.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -57.23 -45.84 83.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.177 0.591 . . . . 0.0 111.081 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.36 -50.35 60.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.015 1.326 . . . . 0.0 111.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -41.74 83.07 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.713 1.597 . . . . 0.0 109.878 174.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.27 -43.27 99.15 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.36 -57.81 3.61 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 128.168 2.794 . . . . 0.0 111.404 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -66.4 -53.52 34.95 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 109.865 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.25 56.71 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.181 0.592 . . . . 0.0 111.614 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.91 10.62 4.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.998 0.919 . . . . 0.0 111.89 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.58 38.69 14.78 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 125.434 1.492 . . . . 0.0 112.21 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -125.89 -49.02 1.61 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.853 0.461 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -78.49 56.49 1.79 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.761 -0.587 . . . . 0.0 111.472 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.11 179.95 20.98 Favored Glycine 0 CA--C 1.523 0.569 0 O-C-N 121.509 -0.744 . . . . 0.0 112.76 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.45 -177.52 47.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 44.71 -100.45 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.109 1.764 . . . . 0.0 112.5 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -56.5 -28.87 60.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.65 0.78 . . . . 0.0 112.24 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -90.89 2.17 56.4 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.697 1.199 . . . . 0.0 111.777 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.08 79.64 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.718 0.69 . . . . 0.0 112.674 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -57.94 -57.62 11.99 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.714 0.769 . . . . 0.0 109.524 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.2 ttp -53.56 -49.58 67.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.513 1.525 . . . . 0.0 109.684 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.6 m -51.93 -57.77 8.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.136 0.975 . . . . 0.0 109.529 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -39.67 81.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.56 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.68 18.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.1 -27.4 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.594 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -57.48 -29.17 64.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.969 0.804 . . . . 0.0 111.05 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.56 -11.24 59.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.062 0.545 . . . . 0.0 112.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.32 -158.53 0.48 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.383 1.473 . . . . 0.0 109.783 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 m -143.97 -86.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.891 -0.506 . . . . 0.0 112.082 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -144.02 -54.36 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.828 0.451 . . . . 0.0 110.288 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -45.75 -51.92 11.86 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.896 1.679 . . . . 0.0 109.305 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -53.74 -54.4 38.65 Favored 'General case' 0 N--CA 1.426 -1.64 0 C-N-CA 128.357 2.663 . . . . 0.0 110.361 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.82 -49.01 78.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.468 0.707 . . . . 0.0 110.46 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.47 -47.3 86.05 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.35 80.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.11 -43.72 73.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.27 73.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.74 -50.36 55.68 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.379 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -47.76 -61.48 1.93 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.229 0.922 . . . . 0.0 110.266 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 mtm -65.29 -20.76 66.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.395 1.078 . . . . 0.0 113.328 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -90.47 2.5 55.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.261 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -120.69 38.71 3.95 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -175.092 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.6 t70 34.77 66.03 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.092 2.557 . . . . 0.0 116.262 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.56 -69.95 0.71 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.084 1.326 . . . . 0.0 113.502 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.35 -59.42 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 110.75 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.88 50.4 1.97 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 111.241 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.45 -55.74 0.35 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 129.86 3.264 . . . . 0.0 105.812 170.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -42.25 -41.03 2.61 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 125.157 1.383 . . . . 0.0 112.191 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -37.85 -42.05 0.57 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.132 1.373 . . . . 0.0 112.856 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -70.68 -47.72 58.42 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.273 0.558 . . . . 0.0 110.829 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -57.71 -36.16 71.62 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.973 2.109 . . . . 0.0 109.8 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -48.22 -36.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 123.224 0.61 . . . . 0.0 109.939 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.66 -34.43 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.21 -0.772 . . . . 0.0 112.518 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -38.53 4.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.254 1.027 . . . . 0.0 111.741 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -83.22 -22.02 33.24 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.84 -171.98 54.71 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.221 0.608 . . . . 0.0 111.727 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -83.96 48.38 1.45 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.67 0.788 . . . . 0.0 111.236 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.79 47.77 0.49 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 127.126 2.298 . . . . 0.0 113.095 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -106.05 -13.08 15.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.973 1.709 . . . . 0.0 115.031 -170.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.98 153.17 30.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 119.249 0.931 . . . . 0.0 112.884 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.35 67.74 3.35 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 126.28 24.5 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.224 1.01 . . . . 0.0 109.366 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.521 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 29.3 mtp 46.47 33.91 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.675 1.19 . . . . 0.0 112.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.22 -133.29 11.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -62.57 97.01 0.09 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.308 1.043 . . . . 0.0 111.871 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.95 147.67 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.645 1.178 . . . . 0.0 108.727 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -60.69 122.3 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.91 91.24 0.63 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.558 1.505 . . . . 0.0 109.146 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -23.4 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 C-N-CA 129.291 3.036 . . . . 0.0 113.971 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 26.63 -92.88 0.01 OUTLIER 'General case' 0 C--N 1.344 0.335 0 O-C-N 126.699 2.499 . . . . 0.0 108.871 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.52 70.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-O 118.59 -1.117 . . . . 0.0 110.44 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -44.96 -53.26 7.87 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.821 1.296 . . . . 0.0 108.783 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.09 138.14 2.36 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 129.261 3.315 . . . . 0.0 107.912 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.74 -49.42 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.151 1.381 . . . . 0.0 113.155 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -58.95 -53.13 61.84 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.196 0.998 . . . . 0.0 110.082 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -56.9 -53.85 53.21 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.799 1.239 . . . . 0.0 109.396 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 mt -54.78 -60.69 3.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.783 -1.098 . . . . 0.0 108.528 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.25 -56.94 3.76 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 124.481 1.112 . . . . 0.0 111.372 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.55 -48.69 62.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.764 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -52.76 55.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.182 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -62.08 -33.13 73.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.365 1.438 . . . . 0.0 111.215 178.575 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.45 -50.25 70.48 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.16 30.95 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.796 1.188 . . . . 0.0 110.784 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.23 -54.32 39.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.129 0.972 . . . . 0.0 110.439 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.43 77.64 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.169 0.588 . . . . 0.0 111.407 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.92 14.62 14.74 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.148 1.356 . . . . 0.0 111.402 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -44.33 24.83 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -95.6 135.39 37.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.9 -164.88 27.42 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.47 143.92 6.59 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.131 0.872 . . . . 0.0 111.641 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 47.54 -98.33 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.33 1.852 . . . . 0.0 112.391 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -61.51 -41.14 96.86 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.635 0.731 . . . . 0.0 109.578 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -80.74 77.05 7.62 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 -64.83 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.904 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 tpp -53.94 -54.18 42.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.496 0.665 . . . . 0.0 109.207 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 ttp -50.5 -53.05 32.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.486 1.114 . . . . 0.0 109.532 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -50.05 -53.52 26.38 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.419 1.088 . . . . 0.0 110.503 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -38.33 90.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.772 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.92 -56.13 26.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 109.794 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.97 -25.83 37.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.612 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.71 -25.3 62.77 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.465 1.029 . . . . 0.0 109.826 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -74.1 -23.73 59.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.365 0.53 . . . . 0.0 111.628 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 132.86 37.58 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.245 1.018 . . . . 0.0 110.921 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.09 164.81 26.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.018 1.327 . . . . 0.0 110.748 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -49.67 -47.08 50.38 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.394 -0.816 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -60.89 -46.32 91.07 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.107 0.479 . . . . 0.0 110.083 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.28 -49.18 76.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -57.98 -53.04 62.7 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -54.04 -48.59 70.37 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.375 0.607 . . . . 0.0 109.736 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.53 70.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -48.99 59.04 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.39 34.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.063 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.2 -50.33 69.65 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.606 0.362 . . . . 0.0 111.364 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.8 -57.85 9.37 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.169 0.588 . . . . 0.0 110.404 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.1 mtm -60.46 -34.11 73.53 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 121.865 -0.522 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -66.46 3.41 0.96 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.983 -1.698 . . . . 0.0 113.229 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -139.65 49.59 1.79 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.304 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -173.233 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.521 ' HHD' ' HG3' ' A' ' 23' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.31 145.22 8.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.261 1.024 . . . . 0.0 110.468 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.68 -63.74 2.66 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.09 -50.11 67.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.717 0.807 . . . . 0.0 111.525 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.38 81.65 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.583 0.23 . . . . 0.0 111.044 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.16 -45.13 91.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.916 0.886 . . . . 0.0 110.81 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.83 -27.71 65.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -44.75 -54.46 6.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.652 1.181 . . . . 0.0 112.857 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -66.52 -41.29 89.02 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.147 0.975 . . . . 0.0 111.447 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.13 -38.32 76.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 128.029 2.531 . . . . 0.0 110.768 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 C-N-CA 123.769 0.827 . . . . 0.0 110.181 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.16 -35.6 26.96 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.373 -0.681 . . . . 0.0 112.951 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -109.44 -29.24 8.52 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.144 0.972 . . . . 0.0 112.341 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -95.07 -29.86 14.37 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.87 -172.41 38.68 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -75.51 0.09 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.846 -0.796 . . . . 0.0 109.138 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.18 52.8 2.28 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.294 1.438 . . . . 0.0 109.975 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 21.18 51.36 0.01 OUTLIER Glycine 0 CA--C 1.536 1.377 0 C-N-CA 129.447 3.403 . . . . 0.0 116.956 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -122.79 -17.01 6.97 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -68.81 150.41 47.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.044 1.747 . . . . 0.0 110.564 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 128.39 36.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.3 -135.86 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mtp -74.16 70.36 1.59 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.233 -0.917 . . . . 0.0 108.624 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.77 -172.75 42.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -48.87 117.28 2.0 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.415 1.486 . . . . 0.0 111.83 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.18 141.41 32.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.165 0.986 . . . . 0.0 108.373 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 120.21 47.07 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.56 140.48 65.03 Favored 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 121.384 1.389 . . . . 0.0 111.234 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 t -77.96 -28.62 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -35.58 105.27 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.473 1.509 . . . . 0.0 111.331 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.25 45.22 15.72 Favored Glycine 0 N--CA 1.437 -1.26 0 C-N-CA 127.213 2.339 . . . . 0.0 114.928 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.7 -169.51 0.12 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.283 2.041 . . . . 0.0 108.136 171.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.76 124.67 7.38 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.5 -46.25 1.69 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.137 1.375 . . . . 0.0 113.261 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -65.14 -46.43 80.96 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.8 0.727 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.63 -54.29 48.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.73 -65.04 0.63 Allowed 'General case' 0 N--CA 1.428 -1.546 0 C-N-CA 125.723 1.609 . . . . 0.0 108.877 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -36.79 -60.97 0.57 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.148 1.779 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -53.15 -53.46 50.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.056 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.75 -51.56 68.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.453 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.26 77.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 121.167 1.803 . . . . 0.0 110.043 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.29 -45.69 93.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.957 0.798 . . . . 0.0 109.482 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.55 -47.78 81.56 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.584 1.088 . . . . 0.0 111.527 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -59.26 -56.09 26.51 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.469 1.108 . . . . 0.0 108.971 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.85 66.71 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.029 0.532 . . . . 0.0 110.756 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.66 -32.55 72.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.999 0.92 . . . . 0.0 111.069 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 20.63 41.89 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.961 0.791 . . . . 0.0 111.444 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -91.41 -65.39 1.01 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -74.17 71.76 1.68 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.54 -142.7 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.26 127.88 3.57 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.067 0.841 . . . . 0.0 112.024 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 40.82 -103.74 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.276 2.231 . . . . 0.0 112.997 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -50.21 -35.89 28.41 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.21 1.004 . . . . 0.0 112.044 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -72.11 -8.72 56.23 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.871 0.868 . . . . 0.0 112.57 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.34 86.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.119 0.872 . . . . 0.0 111.347 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.77 -53.56 57.04 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.8 ttp -52.05 -50.06 62.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.849 0.86 . . . . 0.0 110.013 178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -46.52 -53.34 11.49 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.675 0.79 . . . . 0.0 109.8 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -41.43 98.2 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.437 0.562 . . . . 0.0 110.426 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.15 73.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.433 0.56 . . . . 0.0 110.591 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 t -71.3 -30.33 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.825 -0.547 . . . . 0.0 110.765 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -25.55 35.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.905 0.775 . . . . 0.0 111.749 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.39 -23.88 67.44 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 117.965 0.348 . . . . 0.0 111.806 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -173.92 3.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.478 1.911 . . . . 0.0 111.208 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 m -161.62 175.56 11.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.615 2.366 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -38.08 -59.34 0.86 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -54.02 -48.83 70.08 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.851 0.75 . . . . 0.0 111.42 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.76 -44.82 88.82 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 mt -58.6 -52.23 66.56 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 123.981 0.913 . . . . 0.0 109.349 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -57.06 -53.19 60.88 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.171 0.588 . . . . 0.0 109.474 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.33 81.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.71 -45.68 67.69 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.09 -52.78 57.51 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.655 0.207 . . . . 0.0 110.596 173.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -54.99 -51.04 67.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.891 0.476 . . . . 0.0 110.425 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -55.7 -62.96 1.34 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.409 0.683 . . . . 0.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 mtm -55.7 -31.98 62.92 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.791 1.236 . . . . 0.0 112.969 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -62.0 -11.22 12.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.615 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -137.48 53.64 1.86 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.267 34.3 tp . . . . . 0 N--CA 1.432 -1.333 0 CA-C-O 115.495 -2.193 . . . . 0.0 107.895 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 116.86 -1.543 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -156.48 153.24 28.48 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 120.032 1.287 . . . . 0.0 110.585 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -25.59 -63.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 127.582 2.515 . . . . 0.0 114.194 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.16 -53.65 46.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.197 0.498 . . . . 0.0 111.467 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.0 -31.72 61.25 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.356 0.662 . . . . 0.0 111.446 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -77.33 -57.07 4.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -51.01 -33.91 27.05 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.323 1.449 . . . . 0.0 113.767 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -21.29 9.56 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -22.44 25.45 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.962 1.305 . . . . 0.0 111.929 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 m -91.26 -32.87 15.58 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.181 1.792 . . . . 0.0 111.823 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -53.82 159.91 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.306 0.574 . . . . 0.0 110.034 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.27 -54.56 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.96 -59.78 2.57 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -61.37 -34.41 75.27 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.507 1.923 . . . . 0.0 112.564 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.2 -137.42 13.66 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.5 -62.79 1.25 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -67.81 -41.37 83.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.803 0.841 . . . . 0.0 110.947 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.1 62.33 0.41 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 125.334 1.445 . . . . 0.0 109.675 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -107.15 -30.92 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.16 1.784 . . . . 0.0 114.106 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -75.72 132.2 40.35 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -171.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 72.45 5.07 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 169.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -105.28 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.931 2.092 . . . . 0.0 113.916 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.0 mtt -70.8 77.56 0.62 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.335 -0.853 . . . . 0.0 109.636 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.36 -173.83 46.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.86 0.743 . . . . 0.0 111.246 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -64.89 66.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.439 1.895 . . . . 0.0 113.626 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.98 130.97 35.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.732 1.213 . . . . 0.0 110.055 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -62.11 133.08 94.01 Favored Pre-proline 0 C--N 1.345 0.381 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -60.13 141.9 97.17 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 N-CA-C 108.635 -1.333 . . . . 0.0 108.635 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.29 -38.35 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.553 -174.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -31.54 89.45 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.677 2.391 . . . . 0.0 112.579 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.32 48.08 2.82 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.253 1.406 . . . . 0.0 114.333 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.299 5.3 pt20 -57.95 -27.02 63.03 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.855 1.828 . . . . 0.0 112.547 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.91 135.04 1.75 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 126.813 2.149 . . . . 0.0 108.592 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.98 92.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.6 2.2 . . . . 0.0 110.728 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -47.64 81.79 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -48.07 -59.06 3.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.983 1.713 . . . . 0.0 109.231 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.11 -58.26 9.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.83 1.252 . . . . 0.0 109.385 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -41.72 -60.3 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.671 1.123 . . . . 0.0 111.506 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.21 -45.43 61.89 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.174 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -69.6 -45.83 67.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -45.95 76.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 121.045 1.748 . . . . 0.0 109.27 172.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.47 -41.59 90.07 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.58 -63.03 3.3 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 127.954 2.692 . . . . 0.0 110.644 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.48 -52.67 64.64 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.205 1.402 . . . . 0.0 110.036 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.13 69.42 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.453 0.701 . . . . 0.0 111.569 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.48 -33.62 71.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.76 -4.76 61.59 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 124.027 0.822 . . . . 0.0 112.285 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 p -73.95 -60.04 2.44 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -74.31 76.43 1.85 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.653 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.77 -171.44 39.65 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.97 148.05 6.88 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.515 1.055 . . . . 0.0 111.888 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 48.81 -101.03 0.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.54 1.936 . . . . 0.0 111.829 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -57.08 -42.38 80.58 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.536 1.134 . . . . 0.0 109.837 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -83.78 76.89 9.96 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.77 -68.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.273 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -53.51 -54.37 38.16 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -51.11 -54.19 27.37 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.38 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 m -50.4 -54.26 23.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.675 0.79 . . . . 0.0 111.023 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -36.98 84.59 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.6 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -58.92 6.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.779 0.718 . . . . 0.0 110.123 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.81 -32.5 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.065 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.04 -27.82 6.12 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.198 0.908 . . . . 0.0 112.728 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -62.78 -32.0 73.08 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.067 0.849 . . . . 0.0 111.488 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.23 127.36 32.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.131 1.372 . . . . 0.0 110.774 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 t -88.39 -175.03 4.85 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.37 -54.03 15.42 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -174.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.04 -57.88 2.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.472 1.109 . . . . 0.0 111.21 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -62.58 -47.65 82.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 125.771 1.629 . . . . 0.0 112.281 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.15 -48.17 79.36 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -60.52 -51.18 70.55 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.54 -55.93 22.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.74 -52.28 49.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.212 0.32 . . . . 0.0 110.394 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.16 -54.52 38.61 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.102 0.561 . . . . 0.0 111.545 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.05 -55.76 27.35 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.167 0.587 . . . . 0.0 110.742 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -57.83 -33.38 68.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.066 0.947 . . . . 0.0 112.103 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 m -85.55 23.14 1.42 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.386 1.074 . . . . 0.0 112.214 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -146.24 37.12 1.02 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.428 -1.56 0 C-N-CA 128.735 2.814 . . . . 0.0 106.623 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -52.42 151.49 4.07 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.951 1.3 . . . . 0.0 111.125 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.0 -70.78 2.02 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.66 -50.51 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.923 1.689 . . . . 0.0 113.056 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.53 86.75 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-O 120.622 0.249 . . . . 0.0 111.07 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -66.06 -50.4 64.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.266 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -42.83 -44.43 4.46 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -47.66 -34.52 8.2 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.201 1.401 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -69.54 -43.92 71.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.892 0.853 . . . . 0.0 110.543 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.29 -31.7 72.92 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 126.046 1.738 . . . . 0.0 110.953 -173.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -46.13 -37.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.638 0.775 . . . . 0.0 109.519 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.61 -38.28 7.26 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.428 1.013 . . . . 0.0 113.122 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 m -111.04 -31.75 7.02 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.313 1.056 . . . . 0.0 111.638 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.51 -4.07 32.08 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.87 165.37 31.2 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 121.182 -0.949 . . . . 0.0 112.822 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.35 -52.92 7.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.654 1.182 . . . . 0.0 111.853 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -108.49 43.88 1.19 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.226 1.011 . . . . 0.0 112.987 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.6 27.96 2.27 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.485 1.993 . . . . 0.0 114.731 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -83.77 -62.61 1.53 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.879 1.672 . . . . 0.0 113.8 -171.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -58.19 142.01 48.77 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 143.76 56.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.63 -128.55 0.08 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.517 0.727 . . . . 0.0 110.131 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 84.5 mmm -69.91 76.56 0.47 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.198 0.599 . . . . 0.0 110.639 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.51 -161.22 23.92 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.035 0.826 . . . . 0.0 112.02 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -62.07 70.88 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.739 2.015 . . . . 0.0 113.809 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.49 134.15 34.56 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.753 1.221 . . . . 0.0 109.031 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 134.31 96.01 Favored Pre-proline 0 C--N 1.343 0.283 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 172.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -58.21 140.04 92.76 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 N-CA-C 108.415 -1.417 . . . . 0.0 108.415 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.97 -37.27 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 118.954 -0.545 . . . . 0.0 109.711 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -35.82 95.96 0.01 OUTLIER 'General case' 0 C--N 1.343 0.323 0 C-N-CA 127.011 2.124 . . . . 0.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.86 49.56 1.98 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.502 1.525 . . . . 0.0 115.215 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.303 5.4 pt20 -58.57 -26.6 63.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.274 1.537 . . . . 0.0 110.534 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.09 134.1 1.83 Allowed Glycine 0 C--O 1.218 -0.874 0 C-N-CA 128.575 2.988 . . . . 0.0 108.232 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.09 73.11 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.955 2.877 . . . . 0.0 111.162 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.66 -53.43 47.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -62.45 1.39 Allowed 'General case' 0 C--N 1.339 0.133 0 C-N-CA 125.069 1.348 . . . . 0.0 108.467 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 mt -48.19 -67.3 0.28 Allowed 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 126.743 2.017 . . . . 0.0 109.22 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -44.58 -50.87 9.47 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.906 0.776 . . . . 0.0 111.888 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -57.83 -48.21 80.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.202 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.51 -49.52 66.25 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.259 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.516 ' HE2' ' HHB' ' A' ' 80' ' ' HEC . 0.0 OUTLIER -58.57 -42.04 87.08 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.777 1.626 . . . . 0.0 110.274 177.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.98 -43.72 94.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.756 0.707 . . . . 0.0 109.583 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.25 -53.43 23.79 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 125.319 1.438 . . . . 0.0 110.327 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -62.59 -55.0 31.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.571 0.748 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.1 70.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.552 0.341 . . . . 0.0 111.851 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.43 -40.5 85.49 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.88 12.6 25.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.63 1.11 . . . . 0.0 111.537 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.94 45.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -98.49 151.11 20.96 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.66 -155.7 26.51 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 109.089 -1.605 . . . . 0.0 109.089 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 121.55 3.66 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.144 0.878 . . . . 0.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 33.44 -91.44 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.166 2.587 . . . . 0.0 114.698 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -50.81 -33.77 24.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.735 1.214 . . . . 0.0 112.458 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -87.63 6.91 32.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.541 1.137 . . . . 0.0 112.065 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.78 11.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.767 1.167 . . . . 0.0 112.075 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.3 ttt -57.48 -45.49 84.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 tpt -51.31 -54.75 23.1 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.31 1.444 . . . . 0.0 109.469 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.9 m -54.73 -54.36 42.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.192 0.997 . . . . 0.0 109.652 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -44.63 76.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.23 -0.414 . . . . 0.0 110.786 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -59.5 5.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.839 0.29 . . . . 0.0 110.415 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.98 -31.59 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.137 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.31 -23.63 57.1 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.754 0.706 . . . . 0.0 111.614 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.96 -11.92 60.05 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.635 0.652 . . . . 0.0 112.149 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.59 177.49 6.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.936 1.294 . . . . 0.0 110.003 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -124.88 158.17 34.16 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.132 0.973 . . . . 0.0 109.694 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.01 -45.14 1.86 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.067 1.747 . . . . 0.0 113.983 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -57.88 -50.49 73.14 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 109.506 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.6 -47.62 81.65 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.203 1.001 . . . . 0.0 108.517 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.43 -52.85 63.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.99 0.916 . . . . 0.0 111.563 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -56.52 -46.37 80.63 Favored 'General case' 0 N--CA 1.457 -0.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.52 75.98 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.85 -50.15 58.19 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -52.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.36 -52.48 61.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.338 0.255 . . . . 0.0 110.981 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -53.1 -58.19 7.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.42 0.688 . . . . 0.0 110.24 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.7 mtm -63.7 -22.59 66.98 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -84.57 13.4 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.579 0.751 . . . . 0.0 111.772 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -147.21 48.91 1.12 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.253 1.268 0 CA-C-O 116.499 -1.715 . . . . 0.0 106.373 -171.417 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.516 ' HHB' ' HE2' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 174.99 -160.7 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.853 1.661 . . . . 0.0 106.595 -172.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.05 -68.2 3.13 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.64 30.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.048 0.939 . . . . 0.0 111.342 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.41 71.53 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 122.895 0.478 . . . . 0.0 110.583 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.73 -51.09 71.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.333 0.653 . . . . 0.0 110.268 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -47.33 -44.67 23.89 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -47.23 -42.97 21.35 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.867 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -66.46 -12.7 58.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -95.82 -19.64 19.45 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.26 1.824 . . . . 0.0 111.308 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.95 152.52 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.88 -51.25 1.33 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.49 -50.06 7.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.13 -28.99 27.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.677 0.791 . . . . 0.0 112.29 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 -160.4 34.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.92 -52.38 42.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.223 1.009 . . . . 0.0 113.408 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.3 66.76 1.19 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -173.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.43 31.89 14.4 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.38 -48.44 14.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 127.398 2.279 . . . . 0.0 113.399 -170.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -79.45 141.13 37.06 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.337 0.589 . . . . 0.0 110.865 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 78.12 0.97 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.29 132.71 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 128.397 2.679 . . . . 0.0 114.095 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.19 -75.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.681 1.592 . . . . 0.0 109.581 -170.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.16 118.28 0.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m 66.5 76.64 0.3 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 122.206 1.003 . . . . 0.0 110.449 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.53 140.99 24.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.516 2.326 . . . . 0.0 105.105 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -64.76 114.99 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 117.764 -1.112 . . . . 0.0 108.517 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.2 122.33 10.45 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.234 1.956 . . . . 0.0 111.716 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.63 -40.38 3.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 C-N-CA 124.97 1.308 . . . . 0.0 114.307 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -28.16 88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.578 1.951 . . . . 0.0 112.857 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.03 3.23 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.444 1.497 . . . . 0.0 116.006 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -48.8 -55.64 11.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 123.257 1.503 . . . . 0.0 107.781 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.43 146.7 4.81 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 130.451 3.881 . . . . 0.0 106.453 172.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.64 -36.81 72.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.377 1.088 . . . . 0.0 112.112 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.71 -56.89 15.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -50.85 -56.62 11.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.167 1.387 . . . . 0.0 110.342 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.76 -49.85 75.2 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 126.458 1.903 . . . . 0.0 110.491 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -59.11 -47.95 83.39 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.036 0.835 . . . . 0.0 110.314 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.29 -55.61 31.63 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.762 0.425 . . . . 0.0 111.39 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.57 -46.28 89.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.625 0.77 . . . . 0.0 111.2 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -64.74 -39.62 93.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.109 0.413 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.18 -41.32 99.19 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -52.15 37.59 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 124.984 1.278 . . . . 0.0 110.153 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.31 -55.64 26.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.861 0.864 . . . . 0.0 109.689 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.04 60.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.905 -0.497 . . . . 0.0 112.264 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -88.41 19.36 3.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.945 0.898 . . . . 0.0 111.866 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.67 33.72 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.591 1.091 . . . . 0.0 113.395 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.4 m -102.4 -48.27 4.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.989 1.316 . . . . 0.0 109.099 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -93.27 136.75 33.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.37 -160.8 33.7 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 119.502 1.046 . . . . 0.0 111.221 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.39 179.07 31.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.159 1.383 . . . . 0.0 112.485 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -54.2 -35.64 62.6 Favored 'General case' 0 C--O 1.228 -0.051 0 C-N-CA 123.555 0.742 . . . . 0.0 112.037 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -68.18 -20.24 64.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.02 -45.74 32.32 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.639 1.109 . . . . 0.0 113.393 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 ttm -53.93 -60.14 3.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.364 0.666 . . . . 0.0 109.611 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.61 -51.06 61.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.215 1.406 . . . . 0.0 109.862 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -58.41 5.39 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.717 1.207 . . . . 0.0 109.481 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.28 84.44 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.623 -0.673 . . . . 0.0 111.356 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.29 70.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.333 0.515 . . . . 0.0 110.056 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.87 -27.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 119.295 -0.383 . . . . 0.0 111.481 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -52.64 -25.86 11.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.1 0.864 . . . . 0.0 111.942 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -67.35 -16.14 64.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.44 174.94 6.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.739 1.615 . . . . 0.0 112.26 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -144.57 174.12 11.23 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.997 2.119 . . . . 0.0 107.024 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -45.61 -48.38 14.66 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 116.617 2.081 . . . . 0.0 116.617 -168.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.35 -52.95 59.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.592 1.087 . . . . 0.0 109.021 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.74 -46.28 89.62 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.338 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.77 -55.6 32.17 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.407 0.549 . . . . 0.0 109.838 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -54.72 -48.75 72.12 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.582 0.753 . . . . 0.0 109.565 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.32 -31.58 72.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 118.398 -0.81 . . . . 0.0 112.481 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -49.28 74.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -57.0 14.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.264 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -50.42 -46.57 56.47 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.721 0.408 . . . . 0.0 111.744 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -60.66 -56.35 22.29 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -57.72 -26.32 61.61 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.54 0.736 . . . . 0.0 112.322 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -83.02 2.17 36.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.91 1.284 . . . . 0.0 112.901 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -137.09 45.52 2.23 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.429 -1.51 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -171.097 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.44 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 118.291 -0.861 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.04 158.32 11.28 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.706 0.628 . . . . 0.0 109.513 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.29 -63.11 3.66 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.05 79.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.824 0.85 . . . . 0.0 109.974 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.41 -50.09 42.05 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.336 0.654 . . . . 0.0 110.968 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.5 mp -60.95 -53.48 56.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -47.02 -41.33 16.36 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.249 1.02 . . . . 0.0 113.592 -175.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -39.73 -39.58 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.867 0.729 . . . . 0.0 112.064 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -50.03 63.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.363 1.078 . . . . 0.0 110.836 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.28 -27.78 68.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 127.355 2.262 . . . . 0.0 111.025 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.7 mt -48.38 -37.33 7.6 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.87 -30.76 22.85 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 119.093 -0.837 . . . . 0.0 113.02 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -45.82 3.93 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.563 1.182 . . . . 0.0 110.827 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -87.97 -18.19 29.62 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.46 162.23 37.57 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 119.132 0.878 . . . . 0.0 111.941 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.13 -57.69 4.28 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.458 1.103 . . . . 0.0 112.152 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.64 41.52 1.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.957 0.503 . . . . 0.0 110.691 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.01 34.37 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.625 2.06 . . . . 0.0 115.422 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.5 -22.0 21.56 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.264 1.426 . . . . 0.0 114.406 -172.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.79 108.04 4.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.692 0.678 . . . . 0.0 112.158 -175.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.0 3.6 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.43 -119.48 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 126.215 1.806 . . . . 0.0 113.484 -172.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.0 mtt -46.66 127.87 9.98 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.101 0.864 . . . . 0.0 112.077 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.12 33.73 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.944 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 58.78 51.65 7.39 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.681 1.24 . . . . 0.0 110.825 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.61 135.69 22.6 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.911 1.284 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -56.2 112.9 4.93 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 170.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.71 106.86 0.54 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.068 1.845 . . . . 0.0 112.543 -170.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 t -22.23 -53.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 129.509 3.124 . . . . 0.0 113.613 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -17.18 85.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.065 2.546 . . . . 0.0 112.811 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.86 50.06 39.35 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 117.52 -1.711 . . . . 0.0 115.619 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.95 -51.7 55.32 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.572 2.186 . . . . 0.0 108.626 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.07 135.01 2.03 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 128.459 2.933 . . . . 0.0 108.374 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.66 -41.81 10.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.923 1.861 . . . . 0.0 111.438 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -57.05 -57.56 12.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.339 0.656 . . . . 0.0 110.37 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.75 -58.38 7.78 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.739 1.615 . . . . 0.0 108.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.3 mt -48.62 -64.46 0.8 Allowed 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 125.8 1.64 . . . . 0.0 109.752 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -47.31 -55.9 7.86 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 124.794 1.237 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -51.74 -49.59 62.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.03 -45.06 67.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.203 0.91 . . . . 0.0 111.906 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.541 ' HE2' ' HHB' ' A' ' 80' ' ' HEC 0.305 0.0 OUTLIER -62.12 -36.31 81.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 120.549 1.522 . . . . 0.0 110.293 177.962 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.26 -44.99 86.35 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.5 -58.92 2.41 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 127.085 2.279 . . . . 0.0 111.436 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -67.15 -51.2 56.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.203 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -34.29 67.07 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.957 -0.465 . . . . 0.0 111.731 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.71 -10.58 59.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.412 1.085 . . . . 0.0 111.317 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.56 21.28 74.49 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.519 -0.601 . . . . 0.0 112.112 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p -97.47 -53.31 3.49 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.17 133.61 41.41 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.4 -175.86 44.82 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.61 166.17 18.86 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.375 -2.29 . . . . 0.0 107.375 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -47.07 -60.43 2.47 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.468 1.134 . . . . 0.0 112.019 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.98 -27.48 52.97 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.2 0.6 . . . . 0.0 112.119 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -93.7 3.86 54.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.314 1.046 . . . . 0.0 111.862 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.75 26.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.628 1.558 . . . . 0.0 112.224 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -53.92 -53.33 54.14 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.096 0.958 . . . . 0.0 108.492 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 tpt -47.2 -55.99 7.52 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.666 1.987 . . . . 0.0 110.034 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -52.23 -56.37 15.14 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.486 0.715 . . . . 0.0 110.205 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -39.37 89.59 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.856 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.11 71.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.951 0.341 . . . . 0.0 110.247 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.85 -28.59 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -29.18 10.99 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 111.495 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.11 -25.38 67.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 140.6 31.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.083 1.353 . . . . 0.0 112.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -87.34 177.48 7.12 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.623 0.769 . . . . 0.0 109.966 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -55.71 -48.6 74.87 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -55.09 -50.74 68.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.421 1.088 . . . . 0.0 110.123 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.26 -53.56 56.94 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 125.093 1.357 . . . . 0.0 109.843 179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.28 -48.45 65.29 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.396 1.478 . . . . 0.0 110.852 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -55.16 -55.17 34.26 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.88 75.75 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -52.96 55.62 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.63 -51.24 63.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -53.94 -50.15 67.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.801 0.441 . . . . 0.0 110.575 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -58.66 -63.92 1.11 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.63 0.729 . . . . 0.0 110.614 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.5 mtm -54.25 -25.47 23.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.1 t -61.44 -11.33 10.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.377 -1.297 . . . . 0.0 113.362 176.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -132.92 57.42 1.8 Allowed 'General case' 0 C--N 1.341 0.22 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 32.7 tp . . . . . 0 N--CA 1.433 -1.32 0 C-N-CA 125.166 1.386 . . . . 0.0 107.278 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.541 ' HHB' ' HE2' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 118.147 -0.93 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.99 148.46 4.25 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 124.263 0.977 . . . . 0.0 110.719 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.63 -69.41 2.61 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.51 -50.46 62.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.889 1.276 . . . . 0.0 111.541 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.28 46.88 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.82 0.848 . . . . 0.0 112.385 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -88.24 -50.82 6.11 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.03 -41.96 17.57 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 112.518 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pptp? -47.68 -31.13 4.35 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -47.03 17.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.794 0.838 . . . . 0.0 109.908 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 m -57.59 -36.15 71.34 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.986 1.714 . . . . 0.0 109.619 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 mt -45.93 -35.07 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.679 1.191 . . . . 0.0 110.993 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.56 -38.83 4.25 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.329 0.966 . . . . 0.0 112.01 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -104.83 -46.26 4.35 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -63.21 -12.63 29.84 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 41.92 99.56 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 118.852 0.751 . . . . 0.0 113.095 171.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 65.22 -69.75 0.1 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.825 1.65 . . . . 0.0 112.41 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.6 -47.41 85.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.59 1.156 . . . . 0.0 111.962 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.43 -17.52 9.62 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.244 0.926 . . . . 0.0 111.835 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 m -79.25 43.06 0.51 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.721 1.26 . . . . 0.0 112.942 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 178.22 8.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.681 0.753 . . . . 0.0 112.809 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.68 85.55 2.34 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 169.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -148.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.505 0.722 . . . . 0.0 110.68 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ptm -72.94 64.1 0.68 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.5 -172.85 18.74 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.593 1.568 . . . . 0.0 109.991 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -72.8 63.92 0.65 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.418 1.487 . . . . 0.0 109.743 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 130.05 38.99 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.088 0.955 . . . . 0.0 109.748 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -63.06 141.45 97.71 Favored Pre-proline 0 CA--C 1.532 0.28 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.41 138.79 56.62 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.076 1.184 . . . . 0.0 109.928 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -79.7 -32.63 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.513 0.725 . . . . 0.0 111.732 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -42.3 98.95 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.902 1.281 . . . . 0.0 111.404 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.14 48.51 46.54 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 115.969 1.147 . . . . 0.0 115.969 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -53.64 -47.64 70.11 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 123.418 1.58 . . . . 0.0 107.799 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.71 149.27 5.0 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 129.08 3.228 . . . . 0.0 109.591 173.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.21 69.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.933 0.866 . . . . 0.0 111.408 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -59.72 -55.68 31.28 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.499 1.12 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -52.76 -59.41 4.53 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 126.113 1.765 . . . . 0.0 109.416 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.14 -58.34 7.71 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.233 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.72 -57.36 4.32 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 119.147 0.885 . . . . 0.0 110.465 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.37 -50.32 40.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.672 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -51.14 68.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 117.494 -1.241 . . . . 0.0 111.846 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -43.61 71.24 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 121.472 1.942 . . . . 0.0 110.446 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -59.32 -49.19 78.77 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.39 -49.58 38.15 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.748 1.166 . . . . 0.0 111.481 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -64.2 -52.95 56.39 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.269 0.628 . . . . 0.0 109.352 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.48 62.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.399 0.68 . . . . 0.0 111.753 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -86.53 15.89 5.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.43 1.492 . . . . 0.0 111.419 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.23 35.36 14.29 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.941 1.258 . . . . 0.0 112.851 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -111.84 -59.85 1.93 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 109.809 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -78.25 72.62 4.79 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.09 -157.98 8.21 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.53 -153.58 24.83 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 108.419 -1.872 . . . . 0.0 108.419 -174.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.78 -79.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.906 0.883 . . . . 0.0 112.143 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -52.65 -37.03 57.87 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.235 1.016 . . . . 0.0 111.195 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -58.06 -25.05 60.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.213 1.805 . . . . 0.0 112.455 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.61 -53.02 12.36 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.635 1.107 . . . . 0.0 113.75 -176.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -50.44 73.0 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.83 -52.42 41.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.293 1.437 . . . . 0.0 109.649 177.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -51.92 -56.38 14.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.714 1.606 . . . . 0.0 108.586 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -45.42 89.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.774 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.58 61.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.973 0.352 . . . . 0.0 110.447 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 p -74.5 -28.5 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -49.89 -37.57 31.94 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.385 0.993 . . . . 0.0 111.195 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.59 -19.57 65.74 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.78 133.61 35.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.745 1.218 . . . . 0.0 110.666 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 t -84.74 167.27 16.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.162 0.585 . . . . 0.0 109.886 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.8 -42.84 12.68 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.073 0.949 . . . . 0.0 112.915 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -51.31 -55.96 15.6 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 122.809 1.29 . . . . 0.0 111.118 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.38 -44.77 93.79 Favored 'General case' 0 N--CA 1.424 -1.735 0 C-N-CA 126.696 1.998 . . . . 0.0 109.226 -177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.16 -52.18 61.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.167 0.587 . . . . 0.0 110.24 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -58.94 -47.8 83.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.76 84.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.63 -52.14 64.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.15 62.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.309 0.381 . . . . 0.0 110.669 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.51 -53.21 54.78 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.238 -0.288 . . . . 0.0 110.607 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -53.73 -55.97 21.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.542 0.737 . . . . 0.0 111.046 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtm -64.18 -20.7 66.19 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -89.44 8.95 28.25 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.966 0.907 . . . . 0.0 111.464 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 37.64 4.28 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.661 -1.978 . . . . 0.0 105.661 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 N--CA 1.429 -1.521 0 C-N-CA 129.342 3.057 . . . . 0.0 103.533 -174.728 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.16 152.58 13.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.897 0.879 . . . . 0.0 109.972 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.2 -67.87 2.97 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 108.794 -1.722 . . . . 0.0 108.794 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.71 76.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.085 1.354 . . . . 0.0 112.667 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.87 90.9 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.993 -0.442 . . . . 0.0 110.686 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.61 -43.31 97.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.644 1.178 . . . . 0.0 110.09 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -51.2 -21.91 2.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.54 1.136 . . . . 0.0 113.474 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -53.77 -40.12 65.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 120.519 -1.363 . . . . 0.0 109.982 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -87.82 36.51 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.333 0.653 . . . . 0.0 110.863 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -143.42 -33.31 0.44 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.419 1.888 . . . . 0.0 111.215 -173.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -45.73 156.75 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 125.655 1.582 . . . . 0.0 109.88 171.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.12 -57.38 4.99 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.23 -44.93 43.45 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.225 1.513 . . . . 0.0 107.141 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -93.19 6.15 49.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.566 0.746 . . . . 0.0 111.266 175.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 -111.05 3.25 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 107.659 -2.177 . . . . 0.0 107.659 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.25 25.19 3.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 172.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -159.26 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.36 19.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.786 0.708 . . . . 0.0 112.525 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -80.2 -23.56 40.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.461 1.131 . . . . 0.0 110.487 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.68 143.75 35.09 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.627 0.771 . . . . 0.0 110.893 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.66 23.16 2.75 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.99 0.516 . . . . 0.0 110.611 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 25.13 -135.78 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.585 3.154 . . . . 0.0 114.549 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.9 mmt -75.41 66.66 1.86 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.36 86.41 1.82 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 115.543 0.977 . . . . 0.0 115.543 171.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 51.74 43.24 30.11 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.68 141.9 56.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -59.28 122.5 64.17 Favored Pre-proline 0 N--CA 1.441 -0.888 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 172.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.14 136.23 53.51 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 121.648 1.565 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.2 t -90.07 -34.9 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.618 1.567 . . . . 0.0 111.484 -173.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -38.47 101.38 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.829 1.651 . . . . 0.0 109.719 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.52 47.08 45.54 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.618 1.407 . . . . 0.0 116.618 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -56.12 -54.17 48.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.481 1.61 . . . . 0.0 107.941 173.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.38 135.53 2.58 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 128.355 2.883 . . . . 0.0 109.865 174.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.12 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.019 1.727 . . . . 0.0 113.784 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -63.69 -52.78 59.09 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 123.748 0.819 . . . . 0.0 109.47 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -60.16 3.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 126.421 1.888 . . . . 0.0 108.0 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -52.88 -64.4 0.83 Allowed 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 127.331 2.252 . . . . 0.0 109.589 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -42.51 -52.97 4.53 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 124.694 1.198 . . . . 0.0 111.75 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -57.15 -47.79 80.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.137 0.273 . . . . 0.0 111.111 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -65.52 -52.5 52.13 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.595 -0.717 . . . . 0.0 112.517 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.407 ' HE2' ' HHB' ' A' ' 80' ' ' HEC . 0.0 OUTLIER -58.65 -39.28 80.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.013 1.279 . . . . 0.0 109.806 177.06 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.49 -43.22 99.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.5 63.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.302 0.953 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -58.9 -56.14 26.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.678 0.791 . . . . 0.0 109.371 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.27 75.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.73 0.412 . . . . 0.0 111.62 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.37 -38.02 89.51 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.652 0.781 . . . . 0.0 109.988 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.77 23.31 15.91 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.243 0.925 . . . . 0.0 111.23 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -95.36 -67.39 0.85 Allowed 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -74.12 73.12 1.72 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.21 -174.86 30.54 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.15 176.92 42.03 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -47.09 -53.17 13.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.161 0.984 . . . . 0.0 112.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -60.85 -24.35 65.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -89.11 -29.86 19.06 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.261 1.024 . . . . 0.0 110.771 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -20.78 -57.04 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.285 2.234 . . . . 0.0 116.173 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.1 mmt -56.02 -54.87 39.69 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 110.467 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.3 ttp -58.9 -47.92 83.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -48.99 -52.15 26.63 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.19 0.596 . . . . 0.0 110.082 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -41.26 89.05 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.95 -0.469 . . . . 0.0 110.611 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.8 -47.75 76.58 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.609 0.64 . . . . 0.0 110.31 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.77 -24.39 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.827 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -50.37 -36.54 32.87 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.839 1.199 . . . . 0.0 110.086 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -60.95 -28.9 69.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.276 1.03 . . . . 0.0 112.583 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 119.51 24.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.768 1.227 . . . . 0.0 111.408 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -83.04 -170.14 2.88 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.08 -53.23 53.42 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.9 -49.17 71.89 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.927 0.87 . . . . 0.0 110.336 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.25 -49.5 77.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.254 1.821 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.63 -50.32 70.49 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.212 0.605 . . . . 0.0 109.592 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.65 -41.52 95.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.189 0.196 . . . . 0.0 110.476 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.72 -45.0 80.1 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.34 -51.39 66.91 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.31 -47.58 81.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.526 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -51.27 -63.49 1.11 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 mtt -55.94 -33.67 64.94 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -65.85 -18.66 65.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.033 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -127.45 53.52 1.74 Allowed 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.257 43.1 tp . . . . . 0 N--CA 1.432 -1.351 0 CA-C-O 116.111 -1.899 . . . . 0.0 106.479 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.407 ' HHB' ' HE2' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 116.75 -1.595 . . . . 0.0 107.814 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -144.07 140.43 29.49 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 120.141 1.337 . . . . 0.0 110.895 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -42.1 -36.82 2.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.967 2.222 . . . . 0.0 114.067 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.54 60.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.749 1.275 . . . . 0.0 112.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.87 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.75 -50.61 69.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.13 1.372 . . . . 0.0 111.109 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -45.8 -33.86 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.851 1.661 . . . . 0.0 114.517 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -50.4 -37.37 37.25 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.663 0.385 . . . . 0.0 110.854 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -62.71 -22.97 66.91 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.3 1.04 . . . . 0.0 113.438 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -90.2 -25.85 20.41 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.297 1.439 . . . . 0.0 111.211 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.34 142.72 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 -45.55 1.29 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -173.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -94.08 -31.07 14.35 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 117.95 0.875 . . . . 0.0 109.498 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -110.15 -41.31 4.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.75 174.56 19.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -174.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.06 96.69 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.755 0.777 . . . . 0.0 109.702 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.45 -71.04 0.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.68 61.85 0.03 OUTLIER Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -129.32 -22.57 3.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -169.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -71.36 158.56 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 0.0 111.447 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.68 77.61 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.826 0.85 . . . . 0.0 110.508 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.55 136.2 17.15 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.355 0.662 . . . . 0.0 110.271 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.503 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 38.7 mtp 46.6 33.31 1.97 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.934 1.294 . . . . 0.0 112.176 -174.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.23 -5.92 52.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.378 -1.234 . . . . 0.0 114.3 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -170.06 104.46 0.31 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.014 1.907 . . . . 0.0 109.341 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.44 144.15 15.37 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.42 139.61 94.85 Favored Pre-proline 0 C--O 1.234 0.247 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -64.31 141.7 76.18 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 N-CA-C 107.168 -1.897 . . . . 0.0 107.168 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.6 t -86.2 -35.16 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 124.017 0.927 . . . . 0.0 108.613 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -33.34 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 127.671 2.388 . . . . 0.0 109.375 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.28 51.52 6.29 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 126.24 1.876 . . . . 0.0 116.639 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.0 -55.54 29.8 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 123.416 1.579 . . . . 0.0 108.145 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.09 144.27 4.0 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 128.376 2.893 . . . . 0.0 107.692 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.81 95.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 120.244 2.022 . . . . 0.0 112.982 -175.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.45 -52.17 62.57 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -48.86 -60.26 2.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.815 1.646 . . . . 0.0 108.162 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.71 -70.31 0.09 Allowed 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.651 1.58 . . . . 0.0 109.211 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -39.87 -55.86 1.9 Allowed 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 124.515 1.126 . . . . 0.0 112.143 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.6 -44.06 85.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -72.11 -43.62 64.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.83 96.49 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 121.531 1.969 . . . . 0.0 109.003 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -59.89 -43.67 94.65 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -45.2 -61.32 3.62 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 128.268 2.842 . . . . 0.0 111.509 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.62 -52.5 63.11 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.385 1.474 . . . . 0.0 109.373 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.95 62.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.396 0.678 . . . . 0.0 111.16 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -73.53 -10.7 59.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.819 0.848 . . . . 0.0 111.967 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.14 28.48 73.6 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 123.777 0.703 . . . . 0.0 111.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 p -109.85 -49.99 3.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.099 0.96 . . . . 0.0 109.154 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -74.37 66.33 1.32 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.337 0.655 . . . . 0.0 109.784 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.35 -165.69 32.45 Favored Glycine 0 CA--C 1.521 0.456 0 O-C-N 120.883 -1.136 . . . . 0.0 112.401 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.65 47.08 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 29.44 -110.46 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 113.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.16 -34.94 15.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.981 1.312 . . . . 0.0 113.813 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -63.89 -26.17 68.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.79 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.63 -48.61 2.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.32 -54.78 41.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 109.853 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -57.39 -48.45 79.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.684 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -45.81 -55.62 6.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.821 0.848 . . . . 0.0 109.403 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -39.4 92.33 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.186 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.76 77.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.649 0.659 . . . . 0.0 110.862 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.06 -22.84 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.205 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -46.5 -35.31 5.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.173 1.389 . . . . 0.0 111.128 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -52.49 -34.69 50.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.869 0.468 . . . . 0.0 111.551 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.0 128.96 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.191 1.396 . . . . 0.0 111.272 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 p -79.18 -79.2 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.262 1.025 . . . . 0.0 112.218 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.57 -61.91 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 125.286 1.435 . . . . 0.0 109.313 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -50.01 -47.68 52.93 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-O 122.54 1.162 . . . . 0.0 108.383 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -56.17 -55.91 27.4 Favored 'General case' 0 N--CA 1.422 -1.843 0 C-N-CA 125.667 1.587 . . . . 0.0 110.958 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 mt -53.79 -49.33 68.54 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.23 1.012 . . . . 0.0 110.635 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.56 -44.71 89.78 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.0 79.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.01 -48.22 82.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.26 -61.32 2.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.209 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -42.92 -50.11 5.83 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.126 0.97 . . . . 0.0 112.776 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -47.75 -56.82 6.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.557 0.343 . . . . 0.0 110.752 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.8 mtm -74.13 -21.95 59.66 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -64.17 -30.74 71.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.116 0.871 . . . . 0.0 112.919 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -112.02 53.41 0.73 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 1.9 tp . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 105.539 -2.023 . . . . 0.0 105.539 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.503 ' HHD' ' HG3' ' A' ' 23' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.818 -1.087 . . . . 0.0 108.448 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -91.71 19.22 6.62 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 -173.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -56.98 2.74 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.51 -42.38 32.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.737 1.215 . . . . 0.0 110.766 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.25 -48.0 46.1 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.706 0.803 . . . . 0.0 111.934 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.04 -48.02 47.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.215 1.406 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -45.36 -29.25 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.841 1.656 . . . . 0.0 114.66 -175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -44.33 -38.18 3.76 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.033 1.333 . . . . 0.0 112.24 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -65.61 -51.91 56.04 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 123.375 1.559 . . . . 0.0 110.807 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.21 -34.24 63.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 131.225 3.81 . . . . 0.0 111.306 -174.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -43.66 -40.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.683 175.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.8 -38.11 3.08 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.695 1.141 . . . . 0.0 113.578 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.4 m -114.35 -36.68 4.57 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.339 1.069 . . . . 0.0 111.975 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.16 -10.74 40.69 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.69 177.29 51.11 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.423 -0.798 . . . . 0.0 112.789 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.87 -55.88 7.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.916 1.287 . . . . 0.0 112.974 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -82.79 -80.97 0.16 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.02 36.24 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.807 2.146 . . . . 0.0 109.3 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -28.15 12.09 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.388 1.875 . . . . 0.0 115.9 -167.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -74.76 144.73 43.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.353 1.433 . . . . 0.0 111.108 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 108.6 4.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -178.35 0.97 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.994 0.517 . . . . 0.0 110.625 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mmt -37.92 129.25 1.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 113.458 -177.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.11 38.0 72.95 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.119 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 52.85 50.87 17.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.15 0.98 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.65 152.74 41.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -63.22 135.8 96.4 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.87 149.19 59.43 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 121.293 1.329 . . . . 0.0 108.73 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.29 -35.72 8.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.122 0.569 . . . . 0.0 111.041 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -47.29 105.4 0.07 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.49 1.116 . . . . 0.0 110.496 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.47 25.6 62.95 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 117.07 -1.961 . . . . 0.0 116.652 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -59.67 -50.68 72.92 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 121.981 2.891 . . . . 0.0 107.796 172.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.43 153.39 5.86 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 128.625 3.012 . . . . 0.0 109.977 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.4 80.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.576 0.751 . . . . 0.0 112.615 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -64.26 -53.15 53.55 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 123.717 0.807 . . . . 0.0 109.1 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -49.63 -60.73 2.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.999 1.72 . . . . 0.0 108.135 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.1 mt -54.52 -61.43 2.31 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.8 -52.14 6.87 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 120.025 1.284 . . . . 0.0 111.725 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -56.72 -50.85 70.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.491 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -60.94 -49.13 78.7 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.188 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.435 ' HE2' ' HHB' ' A' ' 80' ' ' HEC . 0.0 OUTLIER -54.82 -46.16 74.51 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 121.405 1.911 . . . . 0.0 109.669 176.09 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -60.68 -47.92 84.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.076 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.49 -47.96 56.03 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.572 1.082 . . . . 0.0 111.579 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -62.51 -52.26 64.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.18 64.63 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.903 0.774 . . . . 0.0 112.09 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -70.36 -12.46 61.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.034 1.334 . . . . 0.0 111.76 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.76 21.67 76.59 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 p -93.09 -61.91 1.48 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -79.05 65.82 4.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.19 -151.3 6.96 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.886 1.232 . . . . 0.0 111.371 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.92 107.39 0.58 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.316 0.96 . . . . 0.0 111.056 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.84 -101.18 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.495 1.918 . . . . 0.0 112.823 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -47.94 -37.9 15.43 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.691 1.197 . . . . 0.0 112.113 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -55.03 -22.35 15.35 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.86 1.264 . . . . 0.0 112.294 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.73 -39.84 38.61 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.633 0.651 . . . . 0.0 111.473 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.18 -46.39 87.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 109.609 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 ttm -59.07 -51.15 71.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.215 1.006 . . . . 0.0 108.753 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 m -46.78 -55.46 7.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.366 1.466 . . . . 0.0 109.068 175.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -46.89 81.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.826 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.65 3.44 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.018 0.372 . . . . 0.0 110.823 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.25 -34.98 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 111.689 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.23 -25.92 64.43 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.017 0.826 . . . . 0.0 111.492 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.15 -11.18 60.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.452 0.569 . . . . 0.0 111.867 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.29 141.44 30.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.008 1.323 . . . . 0.0 109.026 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -83.59 166.16 18.42 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 110.185 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.84 -40.67 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.177 -0.952 . . . . 0.0 111.822 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.44 -55.46 25.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.967 0.889 . . . . 0.0 109.549 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -59.57 -47.03 87.14 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.74 -49.27 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.855 0.752 . . . . 0.0 110.451 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -59.78 -42.24 92.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.55 92.55 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.54 -48.55 81.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.811 1.244 . . . . 0.0 107.877 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.88 63.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.902 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -51.34 -52.91 41.31 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.509 0.724 . . . . 0.0 110.709 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -47.02 -68.22 0.21 Allowed 'General case' 0 C--N 1.338 0.087 0 C-N-CA 124.401 1.08 . . . . 0.0 109.745 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.95 -25.27 63.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.844 0.857 . . . . 0.0 113.267 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -83.48 -4.05 58.16 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.566 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -135.54 50.36 2.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -171.407 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.435 ' HHB' ' HE2' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -73.12 41.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.788 1.635 . . . . 0.0 115.376 -173.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.96 -61.56 3.72 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 119.482 1.037 . . . . 0.0 112.618 176.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -50.76 4.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.171 2.189 . . . . 0.0 112.275 -177.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.09 -35.58 26.01 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.703 1.201 . . . . 0.0 112.328 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.91 -49.41 7.1 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -46.76 -39.97 12.67 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.351 1.06 . . . . 0.0 113.164 -176.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -45.6 -31.63 1.96 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -50.42 16.32 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.87 0.843 . . . . 0.0 109.866 177.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.94 -33.84 67.41 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.024 2.13 . . . . 0.0 110.187 -176.571 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.1 mt -46.87 -34.78 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.479 0.712 . . . . 0.0 110.592 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.75 -37.6 9.24 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.756 -0.469 . . . . 0.0 112.314 177.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.66 -22.39 11.63 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.518 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -104.1 -19.09 14.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.99 159.76 13.2 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.28 -46.2 35.62 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.913 -0.757 . . . . 0.0 112.72 -177.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -83.67 -6.5 59.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.99 0.916 . . . . 0.0 113.185 -177.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.13 16.24 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 120.655 -1.278 . . . . 0.0 111.674 -175.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -81.64 -32.64 31.79 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.287 1.835 . . . . 0.0 113.059 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -58.31 114.05 2.24 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 123.514 0.726 . . . . 0.0 112.127 -174.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.92 80.67 1.66 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.923 0.889 . . . . 0.0 108.805 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.84 171.55 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.662 1.985 . . . . 0.0 114.387 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.9 mtp -17.74 99.18 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.777 2.431 . . . . 0.0 115.263 -176.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.47 56.07 2.9 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 177.166 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 45.12 47.68 9.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.025 1.33 . . . . 0.0 112.73 176.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 140.64 42.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.061 0.544 . . . . 0.0 111.652 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 119.73 25.36 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.001 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -53.84 142.37 63.37 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.397 1.398 . . . . 0.0 111.955 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.0 t -77.81 -36.18 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.135 0.974 . . . . 0.0 110.261 -176.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -23.42 90.91 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 0.0 110.588 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 34.44 58.08 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.171 1.843 . . . . 0.0 115.665 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -48.74 -51.7 27.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 123.096 1.427 . . . . 0.0 108.582 175.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.59 130.46 1.12 Allowed Glycine 0 C--O 1.22 -0.777 0 C-N-CA 127.259 2.361 . . . . 0.0 109.126 172.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.3 -43.47 4.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.574 2.187 . . . . 0.0 113.132 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.87 -48.98 69.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.216 0.462 . . . . 0.0 110.421 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.12 -56.19 22.61 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 125.074 1.349 . . . . 0.0 108.647 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.86 -60.22 3.3 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 126.317 1.847 . . . . 0.0 109.049 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -46.66 -54.83 8.78 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.164 0.893 . . . . 0.0 111.782 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -54.77 -46.76 74.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.023 0.202 . . . . 0.0 111.167 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -61.59 -56.29 21.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.161 179.203 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -43.85 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 121.213 1.824 . . . . 0.0 111.3 177.483 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -58.71 -46.71 86.7 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.96 -48.54 81.79 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.785 1.183 . . . . 0.0 111.645 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -58.39 -57.6 12.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.596 1.159 . . . . 0.0 108.225 177.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.91 69.68 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.194 0.598 . . . . 0.0 111.33 -179.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.71 -33.89 76.02 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.385 0.674 . . . . 0.0 110.913 178.325 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.82 19.75 30.67 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.206 0.907 . . . . 0.0 111.515 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -57.24 2.81 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -78.8 63.22 3.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.63 131.41 2.35 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.377 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.56 148.74 20.66 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 107.315 -2.314 . . . . 0.0 107.315 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 37.0 -103.78 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.232 2.213 . . . . 0.0 113.032 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -47.96 -36.55 12.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.684 1.194 . . . . 0.0 112.681 -177.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -66.4 -12.98 59.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.64 -40.5 53.33 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.188 0.595 . . . . 0.0 111.297 177.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.8 mtt -54.91 -57.34 12.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.28 0.632 . . . . 0.0 110.224 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 46.8 mtm -61.76 -45.85 92.11 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.513 0.725 . . . . 0.0 110.244 178.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.0 m -46.46 -48.01 19.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.528 0.731 . . . . 0.0 109.495 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -46.2 56.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.787 176.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -63.95 1.01 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.555 0.616 . . . . 0.0 112.544 -176.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 m -62.51 -26.21 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.622 -0.674 . . . . 0.0 111.729 -178.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -62.05 -21.98 65.37 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.924 0.784 . . . . 0.0 110.837 176.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.07 -20.44 60.96 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.841 0.746 . . . . 0.0 111.017 176.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.17 178.11 5.84 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.853 1.261 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.2 p -125.65 167.49 15.03 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.757 0.823 . . . . 0.0 110.127 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -44.2 -46.89 9.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.008 0.923 . . . . 0.0 113.355 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.58 -54.03 25.82 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-O 121.659 0.742 . . . . 0.0 109.996 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.05 -55.91 28.64 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.158 1.383 . . . . 0.0 109.393 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -51.52 -51.73 52.85 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.354 0.409 . . . . 0.0 110.957 -178.677 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -57.2 -48.44 78.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.31 72.4 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -50.86 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.22 69.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.203 174.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.37 -53.64 54.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.493 0.317 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -54.37 -55.13 31.66 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 110.65 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 mtm -61.95 -25.75 67.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -83.09 6.94 17.34 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.719 175.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -143.3 50.0 1.41 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.399 -2.075 . . . . 0.0 105.399 179.201 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -172.695 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 4.99 68.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 130.023 3.329 . . . . 0.0 116.572 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.44 -48.92 1.24 Allowed Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.735 -0.603 . . . . 0.0 114.59 176.553 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.34 -46.8 55.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.509 1.124 . . . . 0.0 112.977 -176.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.61 73.98 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.54 -42.29 70.74 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.581 1.552 . . . . 0.0 109.865 -178.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -48.43 -29.15 3.77 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.206 1.002 . . . . 0.0 113.268 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -54.21 -37.31 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.34 -0.85 . . . . 0.0 110.58 177.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -91.92 37.35 0.97 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.6 0.76 . . . . 0.0 110.839 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.24 -32.91 0.7 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.34 1.456 . . . . 0.0 112.274 -174.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.4 153.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.683 1.593 . . . . 0.0 109.36 174.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.14 -54.91 4.93 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-O 118.564 -1.131 . . . . 0.0 110.298 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.2 -40.51 44.89 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.697 1.749 . . . . 0.0 107.815 178.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -104.11 11.74 34.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.044 0.938 . . . . 0.0 111.641 177.218 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.56 -102.53 1.51 Allowed Glycine 0 C--N 1.335 0.491 0 N-CA-C 107.29 -2.324 . . . . 0.0 107.29 174.728 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.48 30.27 1.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -161.16 -103.17 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -173.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.66 31.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.814 1.197 . . . . 0.0 111.66 177.828 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 m -90.68 -44.66 9.35 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 117.728 0.764 . . . . 0.0 111.343 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 150.45 48.54 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 130.63 39.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.54 -122.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.746 0.818 . . . . 0.0 110.143 -178.154 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.5 mtt -69.35 75.75 0.37 Allowed 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.642 -0.661 . . . . 0.0 109.796 177.201 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 -173.8 55.08 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -40.92 101.92 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.725 2.01 . . . . 0.0 112.91 -178.724 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.15 133.66 37.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.742 1.217 . . . . 0.0 107.724 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -58.17 123.39 64.96 Favored Pre-proline 0 N--CA 1.432 -1.33 0 C-N-CA 125.348 1.459 . . . . 0.0 109.075 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.56 134.82 47.26 Favored 'Trans proline' 0 N--CA 1.45 -1.029 0 C-N-CA 121.945 1.763 . . . . 0.0 109.875 175.806 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.26 -36.8 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.871 1.268 . . . . 0.0 110.217 -175.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -43.96 101.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.792 1.237 . . . . 0.0 110.131 -179.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.65 40.55 99.3 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 117.19 1.636 . . . . 0.0 117.19 176.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -57.94 -58.62 7.61 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.272 2.036 . . . . 0.0 108.27 172.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.12 137.75 2.26 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.492 2.472 . . . . 0.0 108.592 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.12 64.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.708 1.754 . . . . 0.0 112.561 -176.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.59 -54.87 40.16 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.495 0.589 . . . . 0.0 110.128 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -48.21 -57.97 5.17 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.487 1.515 . . . . 0.0 108.411 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.26 -68.09 0.2 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 113.646 -1.615 . . . . 0.0 109.129 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -38.18 -61.72 0.64 Allowed 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.977 1.711 . . . . 0.0 111.81 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -53.7 -42.1 67.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.949 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -75.9 -44.15 41.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.445 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -37.65 85.15 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.034 1.743 . . . . 0.0 109.36 174.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -63.18 -46.96 84.64 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.21 -50.04 41.59 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.037 1.303 . . . . 0.0 110.695 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -62.36 -57.97 9.39 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.453 0.701 . . . . 0.0 109.483 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.83 66.91 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.636 -0.665 . . . . 0.0 112.51 -179.191 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.95 -22.64 63.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.448 1.099 . . . . 0.0 111.346 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.22 20.08 63.39 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.603 0.621 . . . . 0.0 111.657 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -90.79 -52.09 5.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.163 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.25 147.91 27.71 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.43 -172.63 40.25 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.463 1.029 . . . . 0.0 111.657 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.04 162.34 22.15 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.485 -2.646 . . . . 0.0 106.485 -179.014 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.72 -54.29 19.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.953 1.377 . . . . 0.0 112.429 -176.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -59.7 -23.56 63.23 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.055 0.542 . . . . 0.0 112.311 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.83 1.9 54.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 111.268 -176.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.6 -51.4 70.06 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.608 1.095 . . . . 0.0 111.785 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.8 ttm -57.19 -50.33 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 ttp -54.49 -50.35 68.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.339 0.655 . . . . 0.0 109.915 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -50.83 -52.93 36.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.885 0.874 . . . . 0.0 108.814 178.753 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -43.52 95.11 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.603 178.534 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -51.3 67.73 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.588 0.631 . . . . 0.0 110.416 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.13 -23.45 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.035 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -54.68 -33.86 61.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.576 1.08 . . . . 0.0 109.981 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -64.91 -22.49 67.0 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 123.907 0.883 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 131.11 34.84 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.913 1.285 . . . . 0.0 112.566 -174.35 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -76.72 174.25 10.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -55.45 -46.59 76.77 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.14 -0.975 . . . . 0.0 110.965 179.13 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.31 -53.19 47.37 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.209 1.403 . . . . 0.0 110.457 177.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.056 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.72 -45.95 85.06 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.491 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -59.73 -45.11 93.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.58 78.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.197 -0.315 . . . . 0.0 111.839 178.061 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.59 -52.83 61.83 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.51 62.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.639 176.486 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.82 -50.64 63.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.724 0.41 . . . . 0.0 110.648 178.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -53.73 -58.45 7.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.156 0.982 . . . . 0.0 110.235 178.662 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.1 mmt -56.15 -34.8 66.48 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.018 0.927 . . . . 0.0 111.29 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -82.05 9.54 8.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 117.766 -1.111 . . . . 0.0 113.349 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.77 38.89 1.49 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 178.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.431 -1.423 0 C-N-CA 125.979 1.712 . . . . 0.0 108.152 -174.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -59.64 155.75 14.98 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.838 0.711 . . . . 0.0 109.589 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.67 -61.91 3.22 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -176.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.64 44.45 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.569 0.748 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.87 84.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.597 0.359 . . . . 0.0 111.106 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.08 -44.61 95.28 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 125.547 1.539 . . . . 0.0 110.788 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.14 -40.95 67.88 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -31.22 -56.64 0.24 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.115 1.366 . . . . 0.0 113.414 -177.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -61.41 -40.39 94.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.24 -28.1 67.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.743 1.617 . . . . 0.0 110.953 -175.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.0 -35.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 C-N-CA 123.862 0.865 . . . . 0.0 109.329 175.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.56 -41.47 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.651 178.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.3 m -106.62 -33.18 7.73 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.073 0.937 . . . . 0.0 111.745 -178.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -95.42 -26.57 15.81 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.021 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.55 170.05 46.04 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -177.156 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -65.28 0.58 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 -177.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.68 34.3 0.49 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.074 0.55 . . . . 0.0 110.711 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.35 36.67 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.439 1.971 . . . . 0.0 113.893 -178.07 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -98.72 -25.07 14.8 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -168.073 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -79.8 37.67 0.36 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.996 1.725 . . . . 0.0 112.916 -172.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.74 -113.91 0.82 Allowed 'General case' 0 C--N 1.342 0.239 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.25 168.8 2.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.057 2.943 . . . . 0.0 106.603 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -42.9 108.89 0.11 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.061 1.345 . . . . 0.0 111.965 -177.183 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.86 -97.42 1.14 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 -178.232 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -159.22 137.91 10.89 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.54 152.65 10.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -58.61 118.49 28.87 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 172.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.39 144.56 95.18 Favored 'Trans proline' 0 N--CA 1.444 -1.44 0 N-CA-C 107.519 -1.762 . . . . 0.0 107.519 179.255 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 t -66.84 -37.05 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -27.12 98.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.961 2.504 . . . . 0.0 111.285 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 36.91 37.96 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.977 2.227 . . . . 0.0 114.849 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.319 3.7 pt20 -61.74 -34.24 75.47 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.585 1.693 . . . . 0.0 111.289 -177.101 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.15 123.4 1.26 Allowed Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.227 1.87 . . . . 0.0 112.127 170.081 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.7 -42.97 26.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.358 2.079 . . . . 0.0 112.324 178.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.53 -55.4 35.08 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -45.48 -61.01 1.86 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.919 2.088 . . . . 0.0 108.871 177.672 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.75 -62.62 1.54 Allowed 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 128.109 2.564 . . . . 0.0 109.171 -178.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -43.56 -59.06 2.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.439 1.096 . . . . 0.0 111.376 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -50.69 -49.05 58.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.028 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -68.18 -46.48 70.58 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.344 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -35.36 79.29 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 120.866 1.666 . . . . 0.0 110.023 175.218 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -61.49 -47.29 86.31 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.86 -53.07 31.54 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.86 1.219 . . . . 0.0 110.99 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -64.58 -49.16 72.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.704 0.802 . . . . 0.0 110.872 -179.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.42 90.85 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.644 -0.66 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.62 -37.96 80.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.102 0.561 . . . . 0.0 110.351 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 11.65 34.97 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.608 1.099 . . . . 0.0 111.327 -178.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.88 60.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.07 144.97 27.0 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.69 -172.45 41.17 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.17 163.05 12.98 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 -179.117 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -46.95 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.868 0.834 . . . . 0.0 112.082 -178.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -70.24 -26.98 64.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.047 0.539 . . . . 0.0 111.744 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -80.38 -25.56 39.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.581 0.752 . . . . 0.0 110.658 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -33.58 -53.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.643 1.577 . . . . 0.0 115.211 -176.209 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 94.3 mtp -54.2 -59.29 4.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.67 0.747 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.7 ttp -55.99 -44.59 78.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.352 1.061 . . . . 0.0 109.974 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 m -55.65 -52.41 63.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -40.33 93.44 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 119.2 -0.429 . . . . 0.0 109.993 178.238 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -56.78 17.44 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.442 0.565 . . . . 0.0 109.815 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.89 -25.95 38.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.826 -0.547 . . . . 0.0 111.447 179.189 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.29 -27.22 61.95 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.306 0.957 . . . . 0.0 110.261 176.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -73.33 -17.34 61.31 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.196 0.453 . . . . 0.0 111.98 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.16 -161.08 0.5 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.395 1.478 . . . . 0.0 110.419 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -146.49 -77.41 0.18 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -153.75 -51.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.519 0.328 . . . . 0.0 111.753 -176.066 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.38 -49.74 66.57 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.603 1.192 . . . . 0.0 107.986 177.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -50.83 -57.39 8.54 Favored 'General case' 0 N--CA 1.424 -1.752 0 C-N-CA 128.143 2.577 . . . . 0.0 109.728 177.02 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.27 -50.08 72.39 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.575 1.15 . . . . 0.0 111.198 -178.028 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.7 -48.24 81.79 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.92 78.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.37 -48.74 54.87 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.48 -52.84 52.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.999 0.52 . . . . 0.0 111.173 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -56.61 -54.99 39.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.31 -0.243 . . . . 0.0 110.68 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -53.24 -51.26 62.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.331 0.586 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.3 mtp -60.76 -29.98 69.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.413 1.085 . . . . 0.0 111.784 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -76.24 2.79 12.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.339 175.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -130.18 38.63 3.76 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 -175.322 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 118.021 -0.99 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.85 148.48 4.09 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 124.179 0.992 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.88 -62.15 2.48 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.75 -51.5 69.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.946 0.898 . . . . 0.0 111.287 -178.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.61 61.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.559 0.743 . . . . 0.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -79.1 -59.25 2.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.184 0.994 . . . . 0.0 108.499 178.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -43.41 -45.93 6.44 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.933 1.693 . . . . 0.0 113.161 -176.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -31.96 2.55 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.98 -45.03 28.82 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.052 0.929 . . . . 0.0 110.632 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -58.41 -31.9 68.14 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.72 2.008 . . . . 0.0 110.183 -175.279 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.9 mt -44.02 -36.08 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.62 1.168 . . . . 0.0 110.928 174.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.57 -42.76 14.48 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 118.245 0.475 . . . . 0.0 112.111 178.492 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.7 m -99.11 -34.71 10.28 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 117.282 0.541 . . . . 0.0 110.999 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -81.9 -33.13 30.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -172.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.35 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.014 0 CA-C-N 119.48 1.036 . . . . 0.0 113.427 175.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.47 -110.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.239 1.815 . . . . 0.0 111.82 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.58 -12.31 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.362 1.065 . . . . 0.0 111.876 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.83 41.04 2.56 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.165 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -87.93 -32.63 18.81 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 126.552 1.941 . . . . 0.0 114.8 -172.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -76.75 139.35 40.4 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.582 -175.233 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 102.29 3.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -175.49 0.12 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.649 0.78 . . . . 0.0 112.058 -178.661 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt -30.91 119.66 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.355 1.862 . . . . 0.0 113.625 -176.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 39.58 63.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.182 0.896 . . . . 0.0 112.644 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m 52.26 52.8 13.54 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.122 0.969 . . . . 0.0 111.094 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.5 149.87 49.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.005 0.922 . . . . 0.0 112.447 -177.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -54.35 118.58 16.72 Favored Pre-proline 0 N--CA 1.447 -0.583 0 C-N-CA 124.593 1.157 . . . . 0.0 108.605 173.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.72 148.8 72.31 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 CA-C-N 120.065 1.059 . . . . 0.0 110.547 177.109 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -76.49 -41.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.144 -177.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -19.98 85.84 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 0 C-N-CA 127.387 2.275 . . . . 0.0 113.328 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.78 54.87 4.14 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.758 1.647 . . . . 0.0 115.795 179.713 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -49.03 -52.88 22.75 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.008 1.385 . . . . 0.0 109.174 174.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 137.24 2.23 Favored Glycine 0 C--O 1.222 -0.655 0 CA-C-N 112.389 -2.187 . . . . 0.0 109.484 174.309 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.76 14.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.091 1.946 . . . . 0.0 112.314 -178.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -57.52 -56.26 24.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.714 0.805 . . . . 0.0 109.61 178.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.92 -59.05 5.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.111 1.364 . . . . 0.0 109.387 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -53.62 -49.16 68.44 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.879 1.271 . . . . 0.0 110.866 -177.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -56.73 -60.46 3.52 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.183 0.593 . . . . 0.0 110.484 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -54.82 -47.82 73.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.109 -176.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.06 -41.6 77.37 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.638 -0.664 . . . . 0.0 111.035 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.262 3.6 ppp? -68.08 -39.16 82.96 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.031 0.832 . . . . 0.0 110.361 179.34 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.03 -45.55 86.77 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.65 -61.01 3.08 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.905 2.193 . . . . 0.0 111.374 174.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -61.97 -52.8 62.55 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 109.659 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.96 65.49 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.609 0.764 . . . . 0.0 111.891 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -86.52 11.17 13.25 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.077 0.551 . . . . 0.0 111.168 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.33 33.43 11.33 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.436 1.017 . . . . 0.0 112.008 -178.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -108.53 -54.97 2.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.789 0.836 . . . . 0.0 108.757 -176.537 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.5 95.72 8.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 175.702 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.37 -176.97 45.88 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 118.592 -1.766 . . . . 0.0 113.507 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.94 171.62 44.66 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 107.189 -2.364 . . . . 0.0 107.189 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -41.99 -57.69 2.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.888 1.275 . . . . 0.0 112.36 -177.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.91 -27.41 12.9 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.994 1.318 . . . . 0.0 113.975 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -87.42 -27.11 22.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.254 1.022 . . . . 0.0 111.285 -177.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -26.9 -55.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.999 2.12 . . . . 0.0 116.22 -173.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -53.14 -55.26 25.51 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 109.808 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 ttp -61.26 -49.79 75.65 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.79 178.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -45.91 -55.59 6.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.9 97.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.532 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.73 -59.6 4.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.6 0.636 . . . . 0.0 110.71 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.7 -29.71 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.861 -0.524 . . . . 0.0 111.63 -179.227 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -56.4 -25.17 49.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.098 0.863 . . . . 0.0 111.09 176.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -75.7 -18.72 59.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.825 0.738 . . . . 0.0 112.386 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 144.78 29.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.432 1.093 . . . . 0.0 110.382 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 p -84.32 171.93 12.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.637 1.175 . . . . 0.0 110.091 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.33 -41.87 76.76 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.434 -0.791 . . . . 0.0 111.402 178.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -55.73 -52.25 64.54 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 121.592 0.711 . . . . 0.0 109.607 178.319 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.54 -41.51 90.23 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.164 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -53.95 52.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.6 0.636 . . . . 0.0 109.985 -179.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -54.9 -45.58 74.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.78 85.24 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.58 -0.724 . . . . 0.0 112.362 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -51.29 67.7 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.7 50.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.063 178.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -53.7 -55.34 27.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -53.09 -58.42 7.07 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.515 0.726 . . . . 0.0 110.859 -179.077 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtm -55.92 -36.59 67.88 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 123.65 0.78 . . . . 0.0 111.129 -179.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -63.77 -7.31 7.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.955 179.036 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -100.74 -4.93 27.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.675 1.125 . . . . 0.0 111.493 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.426 -1.65 0 C-N-CA 124.787 1.235 . . . . 0.0 111.519 -177.094 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 116.653 -1.641 . . . . 0.0 107.236 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.9 t0 60.71 106.4 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.869 1.668 . . . . 0.0 115.09 176.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -33.63 -39.11 0.1 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 127.539 2.495 . . . . 0.0 114.56 170.102 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.74 60.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.832 1.316 . . . . 0.0 111.188 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.96 86.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.937 0.895 . . . . 0.0 111.167 178.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.32 -50.36 60.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.69 -45.08 19.2 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.744 0.818 . . . . 0.0 112.787 -176.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -43.91 -36.62 2.48 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.374 1.07 . . . . 0.0 113.266 179.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -78.98 -46.04 19.06 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.922 0.867 . . . . 0.0 110.021 176.089 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.38 -32.92 27.71 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.914 2.886 . . . . 0.0 111.261 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -44.06 -38.0 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.522 1.129 . . . . 0.0 110.103 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.3 -34.61 4.7 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.354 178.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.3 t -116.07 -30.59 5.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.081 0.94 . . . . 0.0 111.941 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -94.21 -12.14 28.86 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -175.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.96 -167.87 50.82 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 177.141 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.81 -85.43 0.06 Allowed 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 122.266 -0.549 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -81.41 52.43 1.85 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 126.086 1.754 . . . . 0.0 111.359 -176.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.55 4.49 0.01 OUTLIER Glycine 0 CA--C 1.54 1.617 0 C-N-CA 129.309 3.338 . . . . 0.0 119.375 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.7 m -84.66 49.47 1.71 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 126.698 1.999 . . . . 0.0 110.758 -175.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -80.15 169.34 17.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -175.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 84.22 2.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 101.877 -3.379 . . . . 0.0 101.877 169.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.58 -175.13 0.24 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.023 1.329 . . . . 0.0 111.529 -175.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 58.0 mtt -64.63 87.06 0.05 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.14 0.882 . . . . 0.0 109.571 176.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.17 144.77 16.53 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.523 2.011 . . . . 0.0 108.364 -174.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 t -50.66 139.53 16.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.762 0.781 . . . . 0.0 110.933 -179.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.31 158.58 27.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.365 0.666 . . . . 0.0 109.906 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -59.1 117.8 24.62 Favored Pre-proline 0 N--CA 1.438 -1.03 0 C-N-CA 125.615 1.566 . . . . 0.0 109.42 177.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.57 146.81 94.16 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.232 1.288 . . . . 0.0 110.251 176.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.17 -32.3 19.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.463 -177.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -23.17 96.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.752 2.021 . . . . 0.0 112.354 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.99 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.886 2.184 . . . . 0.0 115.378 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -53.48 -56.97 12.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.854 1.827 . . . . 0.0 109.732 177.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 147.02 4.77 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 112.561 -2.109 . . . . 0.0 109.715 175.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.58 88.99 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 118.838 1.319 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.78 -50.59 70.42 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -47.62 -57.52 5.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.841 1.257 . . . . 0.0 109.412 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.6 mt -60.04 -53.34 58.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.485 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -44.59 -58.3 3.1 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.25 1.02 . . . . 0.0 111.261 178.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -50.97 -48.17 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.613 178.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.36 -44.95 86.05 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.765 178.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mmm -54.08 -48.52 70.57 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.873 2.124 . . . . 0.0 109.207 176.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -58.45 -48.58 80.26 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.03 -49.75 35.33 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 125.652 1.596 . . . . 0.0 111.436 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -64.28 -62.28 1.71 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.62 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.71 -48.55 20.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.859 1.264 . . . . 0.0 113.872 -176.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -78.11 0.39 24.97 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.767 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.31 43.28 46.99 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.827 0.727 . . . . 0.0 113.331 176.867 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -115.19 -59.14 2.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.896 0.848 . . . . 0.0 108.893 175.63 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -76.7 57.37 1.26 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.648 0.779 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.04 46.92 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 120.967 -1.083 . . . . 0.0 112.501 -178.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.64 -56.01 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -179.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -84.8 -127.63 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.059 0.944 . . . . 0.0 108.935 -178.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -48.54 -36.4 15.34 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.079 1.308 . . . . 0.0 111.496 177.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.08 -26.17 1.73 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.979 2.112 . . . . 0.0 112.181 177.457 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.52 79.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 111.869 176.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.58 -55.03 31.01 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.928 0.87 . . . . 0.0 108.999 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ttp -54.15 -44.81 71.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.639 1.176 . . . . 0.0 109.523 177.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.6 m -54.32 -54.11 44.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.984 0.914 . . . . 0.0 108.912 176.189 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.68 76.63 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.478 0.581 . . . . 0.0 110.273 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.11 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.111 0.414 . . . . 0.0 110.629 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.57 -33.23 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.933 -0.48 . . . . 0.0 111.689 -177.758 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.88 -24.12 65.71 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.269 -0.895 . . . . 0.0 111.482 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -78.33 -5.21 51.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.586 0.63 . . . . 0.0 111.796 177.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.46 -167.69 1.44 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.838 1.255 . . . . 0.0 110.516 177.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -147.63 161.08 41.88 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -37.3 -53.79 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.918 -175.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -50.68 -51.44 49.37 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 123.921 0.889 . . . . 0.0 109.75 178.48 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.383 -176.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.55 -54.28 45.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -57.26 -46.36 83.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.12 80.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.329 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.93 -52.92 57.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.33 54.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.247 0.342 . . . . 0.0 110.682 178.267 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.21 -56.93 15.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.578 0.351 . . . . 0.0 111.306 178.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -56.22 -54.3 46.85 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.522 0.677 . . . . 0.0 110.791 -177.546 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.51 -30.38 68.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.321 1.048 . . . . 0.0 112.42 177.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -77.97 8.25 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.531 -0.731 . . . . 0.0 111.516 174.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -137.07 40.52 2.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.399 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -175.489 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 116.841 -1.552 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.76 158.78 41.46 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 119.882 1.219 . . . . 0.0 108.481 177.338 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -39.33 -47.62 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.045 1.307 . . . . 0.0 113.411 176.429 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.92 51.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.08 0.94 . . . . 0.0 111.035 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.03 -47.55 68.29 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.642 0.377 . . . . 0.0 110.166 178.577 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.41 -53.72 54.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.258 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -50.69 -36.16 34.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.239 1.015 . . . . 0.0 113.293 -176.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -45.79 -41.36 10.81 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.412 0.551 . . . . 0.0 111.411 177.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.16 -39.08 85.13 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 111.638 179.269 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.34 -29.11 53.31 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.603 1.961 . . . . 0.0 111.71 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.1 mt -45.5 -39.1 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 123.639 0.776 . . . . 0.0 110.006 177.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.87 -35.96 6.41 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.141 0.876 . . . . 0.0 113.553 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.7 t -110.12 -33.42 6.68 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 118.352 1.076 . . . . 0.0 112.122 -179.079 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -93.27 -32.32 14.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.67 162.83 36.77 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.63 -58.53 5.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.155 0.582 . . . . 0.0 111.027 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.66 32.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 112.49 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 31.06 60.81 0.24 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 126.964 2.221 . . . . 0.0 114.38 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.0 m -142.01 -9.56 0.89 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.032 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -72.55 160.86 31.58 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 120.975 1.716 . . . . 0.0 110.976 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 91.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.4 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.05 168.03 0.54 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.716 0.806 . . . . 0.0 110.188 174.393 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 mtt -56.18 122.02 10.79 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.506 -178.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.53 73.13 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.384 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 65.93 165.67 0.19 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 0.0 113.563 178.273 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.98 157.06 6.41 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.409 1.084 . . . . 0.0 109.42 -178.585 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -64.54 146.09 98.3 Favored Pre-proline 0 C--N 1.342 0.271 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 169.283 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.2 141.45 57.17 Favored 'Trans proline' 0 N--CA 1.439 -1.712 0 N-CA-C 108.077 -1.547 . . . . 0.0 108.077 176.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 t -80.85 -27.89 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.786 1.234 . . . . 0.0 108.587 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -27.64 95.66 0.01 OUTLIER 'General case' 0 C--N 1.343 0.297 0 C-N-CA 127.754 2.422 . . . . 0.0 111.015 177.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 35.71 52.51 1.11 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 127.05 2.262 . . . . 0.0 115.501 -179.243 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -50.6 -54.01 26.07 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 123.367 1.556 . . . . 0.0 109.157 176.131 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.89 150.4 5.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 128.103 2.764 . . . . 0.0 109.132 173.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.66 99.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.925 0.862 . . . . 0.0 111.77 -178.289 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -59.69 -55.35 35.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -49.57 -60.83 2.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.42 1.488 . . . . 0.0 109.312 177.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.8 mt -56.73 -44.46 81.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.706 1.202 . . . . 0.0 111.222 -177.617 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.44 -55.37 35.91 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.209 0.913 . . . . 0.0 109.885 178.67 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -53.7 -55.53 25.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.85 -49.82 76.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.354 1.062 . . . . 0.0 111.614 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -65.88 -37.04 85.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 110.96 -178.373 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.63 -42.93 98.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 172.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.19 -51.03 49.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 176.558 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.68 -55.77 30.82 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.894 0.878 . . . . 0.0 109.571 176.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.83 -45.82 67.47 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.413 0.685 . . . . 0.0 111.779 -179.135 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.86 -41.47 95.64 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.716 0.807 . . . . 0.0 109.873 177.264 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 17.9 17.91 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.788 1.185 . . . . 0.0 111.542 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.53 -57.99 2.74 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.012 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -75.68 69.07 2.35 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.51 -174.48 33.41 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 119.278 0.945 . . . . 0.0 112.537 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.63 162.96 10.15 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.323 1.916 . . . . 0.0 108.965 -176.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 49.32 -131.89 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.391 1.077 . . . . 0.0 109.947 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -52.41 -31.85 36.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 126.95 2.1 . . . . 0.0 111.932 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.8 -10.1 25.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.167 0.587 . . . . 0.0 111.076 -175.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.71 82.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.746 0.703 . . . . 0.0 109.938 171.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttm -61.36 -56.65 17.96 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.064 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.9 ttp -53.01 -48.84 67.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.29 1.436 . . . . 0.0 109.254 178.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 m -50.52 -57.67 7.56 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.694 1.198 . . . . 0.0 109.516 176.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -40.71 86.7 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.547 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -57.88 11.0 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.304 0.502 . . . . 0.0 110.551 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.12 -25.17 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.514 -0.741 . . . . 0.0 112.206 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -54.76 -30.44 56.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.688 1.131 . . . . 0.0 109.863 176.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -69.16 -19.47 64.01 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.78 139.48 31.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.38 1.072 . . . . 0.0 111.784 -175.667 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.1 t -87.84 168.27 13.07 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.066 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -47.8 -45.79 29.94 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.038 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -54.28 -50.45 67.24 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.584 1.153 . . . . 0.0 110.581 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -64.99 -48.01 75.51 Favored 'General case' 0 N--CA 1.426 -1.628 0 C-N-CA 124.935 1.294 . . . . 0.0 109.569 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.1 mt -51.76 -56.16 15.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.972 0.909 . . . . 0.0 109.575 178.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -53.88 -51.0 65.06 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.207 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.97 73.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -45.5 77.22 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.24 49.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.412 0.285 . . . . 0.0 110.35 176.187 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -51.83 -46.03 64.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.188 0.595 . . . . 0.0 110.575 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.88 -60.71 3.36 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.832 -0.542 . . . . 0.0 109.958 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.5 mtm -52.49 -30.23 29.02 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.734 0.813 . . . . 0.0 112.321 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -66.41 -18.2 65.22 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -131.87 57.72 1.76 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -177.469 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 26.5 tp . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -172.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 116.765 -1.588 . . . . 0.0 106.824 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.0 -65.69 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 123.518 1.628 . . . . 0.0 111.975 -178.471 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.13 -60.29 3.11 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 112.338 -2.21 . . . . 0.0 111.326 -175.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 -64.44 0.95 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -175.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.5 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 123.224 0.61 . . . . 0.0 112.502 -177.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.53 -57.91 3.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 175.318 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -52.77 -27.03 16.09 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.561 1.544 . . . . 0.0 114.532 -175.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -54.67 -29.0 51.48 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.853 0.751 . . . . 0.0 110.726 176.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.6 2.39 33.53 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 -178.583 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -124.81 -37.54 2.46 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.3 1.44 . . . . 0.0 111.092 -173.645 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.4 pt -45.22 -37.73 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.412 178.454 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.98 -35.08 17.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.552 0.596 . . . . 0.0 112.319 179.303 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -109.95 -30.07 7.97 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 117.702 0.751 . . . . 0.0 111.999 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -87.74 -23.96 23.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -176.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 175.13 37.75 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.27 20.79 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.549 1.14 . . . . 0.0 113.033 -176.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.25 69.45 1.46 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -177.121 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.42 35.2 2.7 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.473 1.511 . . . . 0.0 112.199 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.13 -39.77 22.82 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.164 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -97.28 152.04 19.27 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -173.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.18 92.38 0.55 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.083 0.953 . . . . 0.0 108.561 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.31 142.82 5.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.649 0.78 . . . . 0.0 111.176 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 41.3 mtt 50.92 21.05 0.88 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.755 1.222 . . . . 0.0 112.644 -173.576 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.25 18.99 56.74 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.264 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -171.57 80.78 0.07 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.649 1.224 . . . . 0.0 108.376 -177.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -168.92 151.54 4.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -67.8 120.93 77.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 171.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.58 140.61 75.53 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 N-CA-C 108.631 -1.334 . . . . 0.0 108.631 176.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 t -52.28 -45.1 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.655 -178.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 5.13 65.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 129.151 2.981 . . . . 0.0 113.399 -177.198 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.96 57.14 2.06 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.412 1.958 . . . . 0.0 115.014 -178.069 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -37.79 -59.08 0.85 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.823 1.297 . . . . 0.0 111.697 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.79 148.09 5.86 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 127.561 2.505 . . . . 0.0 107.102 177.328 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.908 1.854 . . . . 0.0 111.779 -177.084 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.58 -54.88 41.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.985 0.514 . . . . 0.0 109.71 178.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -49.29 -60.87 2.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.164 1.386 . . . . 0.0 109.032 178.274 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.36 -61.0 2.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.844 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -45.48 -52.87 9.65 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.108 0.867 . . . . 0.0 112.187 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.85 -41.38 82.25 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.25 0.22 . . . . 0.0 110.864 178.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -72.41 -45.71 58.45 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.3 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.47 92.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 121.918 2.145 . . . . 0.0 109.366 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -60.01 -42.3 94.0 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.35 -62.07 2.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 127.321 2.391 . . . . 0.0 110.101 173.565 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 22.9 m-85 -61.04 -48.47 81.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 113.96 -1.12 . . . . 0.0 110.371 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.11 73.9 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.675 0.67 . . . . 0.0 111.489 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.72 -32.64 63.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.238 0.615 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.3 -9.52 69.6 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.839 0.733 . . . . 0.0 112.07 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -65.36 -54.65 25.73 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.18 0.992 . . . . 0.0 108.826 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 17.9 t80 -64.96 -29.4 70.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.467 1.127 . . . . 0.0 112.191 178.236 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.83 62.98 0.91 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 127.152 2.311 . . . . 0.0 114.516 -177.583 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.96 118.9 12.04 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.879 1.228 . . . . 0.0 112.005 178.823 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 35.93 -92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.679 2.392 . . . . 0.0 113.791 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -49.24 -37.56 23.75 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 124.472 1.109 . . . . 0.0 111.95 -178.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -71.51 -6.86 43.69 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.696 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.97 -38.42 62.11 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.526 0.731 . . . . 0.0 111.1 176.607 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.2 ttm -56.22 -49.2 74.79 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.097 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttm -61.36 -46.46 90.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.208 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -49.14 -55.28 12.83 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.26 0.624 . . . . 0.0 109.594 175.126 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -37.86 87.22 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.286 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.47 -56.21 22.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.414 0.552 . . . . 0.0 110.243 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.87 -28.74 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.505 -0.747 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.03 -22.18 60.27 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.715 0.689 . . . . 0.0 110.971 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -66.6 -21.6 66.13 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.111 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.77 163.98 12.95 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.047 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -113.98 167.81 10.34 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.457 1.103 . . . . 0.0 109.855 179.063 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -44.74 -47.08 10.75 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.12 0.968 . . . . 0.0 113.332 -175.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.9 -46.99 78.24 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.55 0.69 . . . . 0.0 110.935 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.32 -51.22 68.53 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.219 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -49.06 -52.16 27.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.043 0.537 . . . . 0.0 110.839 178.849 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -57.97 -49.06 78.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.082 0.468 . . . . 0.0 109.773 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.88 70.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.54 -48.98 52.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -178.513 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -56.41 16.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.08 173.153 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -54.19 -47.27 72.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.725 0.41 . . . . 0.0 111.698 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.09 -58.35 9.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.443 0.697 . . . . 0.0 109.976 178.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.7 mtm -56.96 -30.91 64.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -177.822 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 m -54.58 -18.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.155 0.889 . . . . 0.0 113.141 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -93.49 1.6 56.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.702 -178.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.429 -1.512 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.074 -177.371 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.479 ' HHD' ' HG3' ' A' ' 23' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 117.43 -1.271 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -111.63 136.01 51.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.19 0.905 . . . . 0.0 111.717 -177.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -42.64 -31.28 1.05 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 127.096 2.284 . . . . 0.0 115.022 177.375 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.83 -37.75 44.81 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.061 0.931 . . . . 0.0 111.676 177.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -53.38 24.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.416 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.8 -40.28 41.09 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.103 1.361 . . . . 0.0 112.002 -177.157 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -38.94 -39.75 0.57 Allowed 'General case' 0 C--N 1.339 0.11 0 C-N-CA 125.642 1.577 . . . . 0.0 112.854 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -37.12 4.19 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.169 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -69.09 -21.62 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.689 1.196 . . . . 0.0 113.153 -178.49 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.4 -16.57 27.18 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.166 1.787 . . . . 0.0 111.981 -175.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -52.2 159.03 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.142 0.977 . . . . 0.0 108.964 175.598 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.38 -56.42 4.51 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -176.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.78 -46.57 16.74 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.312 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -97.58 -6.37 33.56 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.01 170.41 13.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 121.273 -0.892 . . . . 0.0 111.911 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.64 73.41 2.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.498 0.719 . . . . 0.0 109.647 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t0 72.39 97.58 0.07 Allowed 'General case' 0 C--N 1.338 0.066 0 C-N-CA 126.746 2.019 . . . . 0.0 110.611 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.71 -32.86 0.17 Allowed Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.972 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t 61.98 56.44 2.32 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.069 1.748 . . . . 0.0 111.071 -177.231 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -57.7 164.7 1.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.255 175.084 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.13 110.36 0.92 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.04 -129.08 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.988 0.915 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mtp -75.64 68.95 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.419 -0.801 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.35 -178.7 17.16 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.974 1.75 . . . . 0.0 109.864 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -72.23 62.11 0.48 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.398 1.479 . . . . 0.0 110.962 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 136.6 57.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.497 -177.068 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -54.99 134.0 67.55 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 171.004 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.25 122.73 10.04 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.1 -43.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 175.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -47.43 108.33 0.15 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.924 0.889 . . . . 0.0 109.403 177.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.0 7.02 83.8 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 117.03 -1.983 . . . . 0.0 116.787 173.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 7.6 pt20 -74.24 -175.56 2.32 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.041 2.92 . . . . 0.0 107.412 172.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.68 132.33 11.31 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 119.928 -1.732 . . . . 0.0 114.379 -169.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -45.88 10.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.101 1.36 . . . . 0.0 112.086 174.634 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.53 -52.41 65.68 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 123.784 0.834 . . . . 0.0 110.162 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.98 -55.93 22.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.406 1.082 . . . . 0.0 108.373 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.13 -46.73 79.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.84 1.256 . . . . 0.0 111.663 -178.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.69 -57.64 12.04 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.193 0.906 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -56.27 -49.5 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.006 -178.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.03 -40.58 78.53 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.499 0.72 . . . . 0.0 111.837 -178.744 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.2 ppp? -65.78 -40.05 91.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.146 0.885 . . . . 0.0 109.122 179.073 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -60.28 -50.94 71.66 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 172.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.96 -43.98 61.64 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.827 0.727 . . . . 0.0 111.787 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.05 -53.12 60.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.268 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.92 63.11 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.822 0.737 . . . . 0.0 111.241 177.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -69.64 -14.31 62.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.664 1.186 . . . . 0.0 111.908 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.47 73.01 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.372 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 p -103.16 -55.5 2.4 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.913 0.885 . . . . 0.0 108.807 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -75.2 64.31 1.43 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.103 0.561 . . . . 0.0 109.853 179.45 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.63 -171.28 39.25 Favored Glycine 0 CA--C 1.523 0.572 0 O-C-N 121.067 -1.021 . . . . 0.0 112.429 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.0 165.76 36.02 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 29.92 -98.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.648 2.379 . . . . 0.0 113.435 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -44.77 -37.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.602 1.961 . . . . 0.0 113.832 -178.811 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -66.56 -24.93 66.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.309 0.644 . . . . 0.0 112.297 -177.244 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.91 -45.65 2.59 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.496 1.118 . . . . 0.0 113.401 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.16 -52.17 66.66 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.192 0.52 . . . . 0.0 109.962 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 ttp -59.11 -49.33 78.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 m -47.19 -53.93 11.94 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.434 1.093 . . . . 0.0 110.096 176.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -42.83 99.49 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.768 179.473 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.65 87.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.915 0.325 . . . . 0.0 111.415 -178.477 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.43 -40.65 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -59.25 -10.45 2.95 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.607 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -56.11 -36.73 68.5 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.31 150.91 43.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.417 1.487 . . . . 0.0 111.601 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -82.49 -84.44 0.12 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.432 1.493 . . . . 0.0 112.509 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -155.48 -53.49 0.09 Allowed 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 125.862 1.665 . . . . 0.0 108.881 179.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -48.09 -51.4 24.7 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 173.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.79 -49.85 75.81 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 126.147 1.779 . . . . 0.0 111.93 179.063 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 66.6 mt -53.44 -53.69 47.76 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.47 0.708 . . . . 0.0 109.438 179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -59.31 -44.56 92.56 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 124.357 1.063 . . . . 0.0 110.176 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.6 78.67 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.648 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.13 -49.28 70.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.389 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.83 -54.36 39.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.081 0.238 . . . . 0.0 111.346 176.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.03 -53.84 47.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.593 0.357 . . . . 0.0 110.948 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.5 -60.32 3.37 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.395 0.678 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.7 mtm -57.76 -30.07 65.32 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.823 0.849 . . . . 0.0 112.458 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -72.03 -14.5 61.89 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.742 -0.599 . . . . 0.0 112.2 176.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -128.21 54.82 1.71 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -176.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.433 -1.317 0 C-N-CA 125.858 1.663 . . . . 0.0 108.36 -171.645 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.6 145.73 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.872 0.732 . . . . 0.0 110.096 178.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.01 -65.07 2.65 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -177.208 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.01 -48.24 61.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.336 1.454 . . . . 0.0 111.409 -178.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.07 -43.13 60.96 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.647 0.779 . . . . 0.0 111.3 179.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.9 -44.84 60.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -51.1 -41.24 59.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.287 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -39.81 -51.92 2.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.158 0.583 . . . . 0.0 112.513 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -46.0 83.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.05 0.94 . . . . 0.0 112.127 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -59.54 -29.41 67.88 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.662 1.985 . . . . 0.0 111.164 -174.553 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -47.36 -35.61 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.705 0.802 . . . . 0.0 110.492 178.306 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.83 -34.8 11.47 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.48 -0.622 . . . . 0.0 113.252 178.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -112.57 -33.4 6.16 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.72 0.808 . . . . 0.0 111.767 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -87.25 -28.83 22.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -175.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.48 159.46 28.17 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -173.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.19 -58.8 5.18 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.236 0.614 . . . . 0.0 111.242 -177.091 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -90.14 33.98 0.87 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.301 1.04 . . . . 0.0 112.356 -179.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.76 32.82 6.07 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.555 1.074 . . . . 0.0 114.255 177.776 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -68.08 -43.33 78.8 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.959 1.704 . . . . 0.0 110.77 -177.798 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt 48.36 -177.7 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 129.41 3.084 . . . . 0.0 117.772 175.893 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.16 37.22 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.206 3.802 . . . . 0.0 104.78 169.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.05 133.0 54.74 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.204 -174.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.1 mtt 44.5 46.35 8.04 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 124.131 0.895 . . . . 0.0 110.087 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.69 4.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -156.3 137.76 13.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.839 -0.8 . . . . 0.0 109.376 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.27 166.87 28.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.754 1.221 . . . . 0.0 108.326 -178.359 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.84 110.7 2.1 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 125.342 1.457 . . . . 0.0 108.067 177.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.81 137.16 74.9 Favored 'Trans proline' 0 N--CA 1.443 -1.491 0 CA-C-N 120.008 1.039 . . . . 0.0 110.052 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.28 -35.21 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -30.95 100.93 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 126.832 2.053 . . . . 0.0 111.134 175.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 47.95 26.36 4.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.467 1.508 . . . . 0.0 116.199 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.295 1.7 pt20 -71.12 161.59 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.847 2.323 . . . . 0.0 105.226 172.224 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 141.21 37.97 Favored Glycine 0 C--O 1.223 -0.593 0 O-C-N 120.485 -1.384 . . . . 0.0 113.923 -168.819 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.92 58.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.153 0.981 . . . . 0.0 110.117 174.26 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -57.47 -59.06 5.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.009 176.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -53.45 -58.61 6.54 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 125.622 1.569 . . . . 0.0 108.957 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -51.22 -53.18 37.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.109 0.964 . . . . 0.0 111.124 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.58 -52.69 64.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 117.614 0.188 . . . . 0.0 110.504 -179.389 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.47 -50.7 70.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.755 0.312 . . . . 0.0 111.579 -177.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -63.68 -46.06 87.27 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.45 0.7 . . . . 0.0 111.242 -178.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -64.72 -41.81 95.7 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 122.079 -0.388 . . . . 0.0 110.335 -179.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -61.54 -41.86 97.97 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.578 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.61 -53.46 20.95 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 126.306 1.908 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -62.18 -56.1 22.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.756 0.422 . . . . 0.0 110.312 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.71 -50.62 32.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.93 0.492 . . . . 0.0 111.741 -178.054 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.36 -55.47 11.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.454 1.102 . . . . 0.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.39 30.4 1.56 Allowed Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.658 1.599 . . . . 0.0 111.688 -178.085 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -2.74 28.74 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.826 1.651 . . . . 0.0 110.6 177.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -143.93 161.61 38.28 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.833 0.742 . . . . 0.0 110.613 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.23 109.68 1.38 Allowed Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.632 -1.787 . . . . 0.0 108.632 -176.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.15 -49.54 18.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.312 0.958 . . . . 0.0 111.602 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.04 35.34 4.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.472 1.509 . . . . 0.0 108.618 175.033 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 70.82 -33.12 0.26 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 128.268 2.627 . . . . 0.0 114.355 178.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.32 55.4 mttm 72.18 42.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.059 1.344 . . . . 0.0 109.451 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.24 -66.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 129.827 3.251 . . . . 0.0 116.888 -176.418 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -57.57 -50.43 73.14 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.85 0.834 . . . . 0.0 110.32 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 ttp -62.6 -42.39 99.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.95 -52.09 59.22 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 118.062 0.392 . . . . 0.0 109.998 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -44.17 84.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.03 0.532 . . . . 0.0 109.595 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.3 36.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.7 m -66.19 -36.97 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.765 -178.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.55 -30.25 69.66 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.383 -0.823 . . . . 0.0 111.324 -178.866 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -78.15 -9.21 59.07 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.057 0.543 . . . . 0.0 111.965 177.274 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.57 129.98 34.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.617 1.167 . . . . 0.0 108.485 179.165 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -74.81 168.69 19.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.003 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -45.12 -48.12 12.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.784 0.72 . . . . 0.0 112.896 -178.133 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.7 -47.59 81.94 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 123.88 0.872 . . . . 0.0 110.972 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -64.2 -40.29 95.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.818 -0.61 . . . . 0.0 110.849 177.756 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -54.51 -53.6 52.27 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -60.28 -49.37 77.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.334 0.653 . . . . 0.0 110.352 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -51.78 66.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.51 -52.85 60.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.412 0.285 . . . . 0.0 111.573 176.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -51.61 -49.9 61.27 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.356 -0.215 . . . . 0.0 111.258 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -60.56 -53.5 56.72 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.369 0.668 . . . . 0.0 111.038 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.1 mtm -57.67 -32.98 67.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 124.322 1.049 . . . . 0.0 111.95 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -78.66 10.55 3.16 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.712 -0.617 . . . . 0.0 111.572 176.072 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -141.78 41.81 1.7 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.533 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 -177.08 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.861 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.17 158.98 44.66 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 119.91 1.232 . . . . 0.0 109.843 178.969 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -41.37 -54.69 3.88 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 125.609 1.576 . . . . 0.0 113.056 177.21 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -51.33 69.27 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.711 0.755 . . . . 0.0 111.416 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.34 92.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.144 0.177 . . . . 0.0 110.962 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.61 -50.17 70.44 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.816 0.446 . . . . 0.0 111.439 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -41.0 -41.71 1.72 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 126.198 1.799 . . . . 0.0 113.717 -175.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -43.5 -41.78 4.56 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.537 1.535 . . . . 0.0 112.347 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -69.18 -18.07 63.88 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -88.38 -22.37 23.81 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.226 1.81 . . . . 0.0 111.207 -177.022 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.75 148.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.94 1.27 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -175.066 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.75 -42.27 10.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.764 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -102.31 -14.01 17.12 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.26 -165.0 51.95 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -176.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -71.02 0.3 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.114 -0.639 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -84.03 49.17 1.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.355 1.062 . . . . 0.0 112.316 -174.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.65 35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.088 0 C-N-CA 128.459 2.933 . . . . 0.0 114.847 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -90.76 -49.32 6.52 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.866 2.066 . . . . 0.0 112.31 -169.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -52.53 123.27 10.63 Favored 'General case' 0 N--CA 1.424 -1.773 0 C-N-CA 124.351 1.061 . . . . 0.0 110.188 -178.061 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.59 48.77 0.47 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.594 1.557 . . . . 0.0 111.542 -177.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 56.48 -168.47 0.1 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.63 1.172 . . . . 0.0 110.466 -176.194 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.17 60.29 4.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.47 -109.08 0.31 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 m -153.05 54.84 0.77 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.588 0.694 . . . . 0.0 110.417 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.05 160.89 24.4 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.604 1.162 . . . . 0.0 110.201 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -62.55 128.98 92.32 Favored Pre-proline 0 C--O 1.233 0.211 0 O-C-N 121.118 -0.988 . . . . 0.0 109.146 178.393 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.65 147.95 67.65 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 174.252 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.1 t -93.01 -37.11 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.508 0.723 . . . . 0.0 110.201 -173.468 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -35.74 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.126 1.77 . . . . 0.0 110.988 178.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.44 39.05 95.74 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 117.21 -1.884 . . . . 0.0 116.911 176.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.01 -49.61 73.16 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 121.465 2.633 . . . . 0.0 107.506 170.954 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.6 141.61 3.45 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 128.412 2.91 . . . . 0.0 110.009 171.665 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -41.74 6.94 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.368 1.067 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -62.13 -53.39 56.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.137 0.975 . . . . 0.0 110.217 179.045 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.76 -58.36 8.71 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.101 1.36 . . . . 0.0 108.401 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -53.26 -47.71 68.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.688 1.595 . . . . 0.0 110.633 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.57 -50.48 73.63 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.733 0.697 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.22 -54.69 44.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.084 0.469 . . . . 0.0 110.992 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.88 -49.77 76.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 124.8 1.24 . . . . 0.0 111.703 -178.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 -179.287 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.76 -41.39 99.19 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.94 -51.11 30.7 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 125.68 1.61 . . . . 0.0 110.18 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -72.18 -37.74 69.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.986 178.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.64 89.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.667 1.121 . . . . 0.0 110.304 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.07 -42.64 75.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.452 0.701 . . . . 0.0 109.601 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 27.12 7.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.965 1.269 . . . . 0.0 111.763 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.75 -47.44 7.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 109.26 178.296 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -76.62 153.57 35.15 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.97 163.13 15.61 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 126.396 1.95 . . . . 0.0 110.508 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.42 -80.57 1.33 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 105.487 -3.045 . . . . 0.0 105.487 174.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -79.52 37.98 0.36 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 109.861 173.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -32.53 0.21 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 129.282 3.033 . . . . 0.0 117.054 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.256 26.6 mttm 75.41 36.76 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 127.425 2.29 . . . . 0.0 109.357 -175.002 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -19.95 -64.06 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 129.384 3.073 . . . . 0.0 116.292 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.9 tpp -52.88 -54.29 36.73 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.292 0.567 . . . . 0.0 109.76 -179.533 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.1 ttp -61.23 -48.72 80.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.33 -0.843 . . . . 0.0 108.728 177.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -46.51 -58.85 3.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.507 0.723 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -40.61 87.08 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.77 -0.581 . . . . 0.0 111.234 -178.158 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.46 80.63 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.342 0.519 . . . . 0.0 110.286 -177.473 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.62 -30.59 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.693 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -51.64 -25.9 7.99 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.998 0.817 . . . . 0.0 112.947 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.19 -23.43 66.61 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 121.68 -0.637 . . . . 0.0 111.999 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 116.17 8.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.576 1.15 . . . . 0.0 110.218 178.032 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -68.72 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -175.058 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -158.73 -59.9 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.732 0.813 . . . . 0.0 110.307 -177.205 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.32 -48.37 46.42 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.953 1.358 . . . . 0.0 107.714 174.026 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -53.72 -55.57 25.07 Favored 'General case' 0 N--CA 1.422 -1.835 0 C-N-CA 129.409 3.084 . . . . 0.0 109.985 176.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.7 mt -53.11 -56.08 19.04 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.102 0.477 . . . . 0.0 110.602 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -57.86 -52.57 64.93 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.303 0.573 . . . . 0.0 110.426 -179.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.58 71.23 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.94 -43.96 70.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.58 64.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.181 174.783 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.52 -49.04 65.61 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.471 0.308 . . . . 0.0 110.226 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -55.16 -59.91 4.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.881 0.872 . . . . 0.0 110.006 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.9 mtm -59.09 -25.63 63.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -78.77 -2.37 39.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.389 176.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -143.19 55.96 1.38 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.254 1.332 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 -172.915 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -119.06 138.97 52.49 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.648 1.113 . . . . 0.0 111.832 -177.748 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -44.32 -32.41 2.64 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.717 2.103 . . . . 0.0 114.52 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.07 -35.04 59.11 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.571 1.185 . . . . 0.0 112.034 178.532 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.61 -53.31 23.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.43 -49.73 61.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.021 1.329 . . . . 0.0 110.65 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.28 -32.17 6.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.111 0.964 . . . . 0.0 113.568 -176.448 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.33 -28.87 45.49 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.324 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -74.82 -24.24 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.637 0.653 . . . . 0.0 112.272 177.596 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -82.32 -34.16 28.66 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.231 1.812 . . . . 0.0 110.069 -178.257 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.58 138.34 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.564 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -41.3 2.24 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 107.019 -2.432 . . . . 0.0 107.019 -173.322 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 t -102.0 -37.73 8.07 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.262 1.031 . . . . 0.0 109.662 175.869 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -98.47 -6.3 30.65 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -176.358 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.9 175.62 42.12 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -173.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.23 49.67 1.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.981 -1.305 . . . . 0.0 111.086 -179.217 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -178.17 -54.55 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.104 0.961 . . . . 0.0 112.615 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.94 46.01 0.16 Allowed Glycine 0 C--N 1.334 0.465 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -175.175 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 p -103.67 -66.99 0.91 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -171.824 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -61.9 166.63 4.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.306 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 72.41 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.859 2.064 . . . . 0.0 112.892 -176.934 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 117.96 4.23 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.503 ' HG2' ' HHD' ' A' ' 80' ' ' HEC . 16.7 mmt 64.12 -64.17 0.14 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.401 1.88 . . . . 0.0 110.91 -168.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.91 1.58 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.347 -1.901 . . . . 0.0 108.347 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -71.82 52.91 0.23 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.146 1.378 . . . . 0.0 113.804 -178.159 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.77 33.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.646 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -59.46 124.17 74.1 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.351 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -55.93 142.41 84.69 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 N-CA-C 108.842 -1.253 . . . . 0.0 108.842 174.621 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.1 t -92.81 -33.42 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.445 1.098 . . . . 0.0 110.328 -173.526 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -46.78 101.51 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.197 1.799 . . . . 0.0 109.158 177.424 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.46 94.04 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.937 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.08 -56.79 16.87 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 121.201 2.5 . . . . 0.0 107.608 172.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.57 140.23 3.06 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 128.237 2.827 . . . . 0.0 109.241 175.201 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.99 4.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.476 1.51 . . . . 0.0 113.133 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.53 -48.96 77.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.224 0.466 . . . . 0.0 110.42 -179.509 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -53.19 -52.85 57.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.503 1.121 . . . . 0.0 109.161 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.99 -65.72 0.6 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.516 1.127 . . . . 0.0 108.705 179.583 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.33 -58.45 0.83 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.684 1.594 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -49.32 -44.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 112.391 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -75.86 -45.74 34.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.222 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.75 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.889 1.677 . . . . 0.0 109.577 176.482 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.86 -42.9 84.88 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.874 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.32 -61.05 3.35 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 127.574 2.511 . . . . 0.0 110.707 174.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.16 -48.54 75.61 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -179.527 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.7 70.11 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.094 0.861 . . . . 0.0 111.815 179.047 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.73 -1.33 42.26 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.199 0.6 . . . . 0.0 111.225 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 40.95 92.82 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -176.616 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -138.94 31.91 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.037 0.935 . . . . 0.0 111.196 -177.019 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -153.09 151.1 29.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 176.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.94 123.48 2.79 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.237 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.33 -48.88 39.9 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 117.796 0.798 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.93 33.27 4.51 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.488 1.515 . . . . 0.0 108.743 175.716 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 65.46 -26.86 0.1 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 130.1 3.36 . . . . 0.0 117.867 176.429 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.292 38.6 mttm 72.16 41.54 0.63 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 125.834 1.654 . . . . 0.0 110.125 -177.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.08 -67.61 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.627 3.171 . . . . 0.0 117.111 -175.811 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -57.93 -48.71 79.12 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.758 -0.589 . . . . 0.0 110.324 -178.187 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.436 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -55.52 16.4 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 109.738 176.195 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -41.38 94.2 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.631 0.373 . . . . 0.0 110.514 -179.363 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.44 -55.05 39.76 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.73 -29.18 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.516 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -55.31 -32.21 62.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.043 0.838 . . . . 0.0 111.232 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.77 -21.15 63.45 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.94 0.496 . . . . 0.0 111.95 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.11 130.49 34.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.423 1.089 . . . . 0.0 111.275 -177.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 p -77.46 171.17 15.3 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 175.102 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -41.65 67.03 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.885 -1.135 . . . . 0.0 112.113 179.495 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.41 -57.86 6.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.333 1.063 . . . . 0.0 109.613 176.038 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -61.39 -49.95 74.81 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.119 1.367 . . . . 0.0 110.756 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.0 mt -53.37 -50.78 64.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.778 0.831 . . . . 0.0 110.245 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.01 -47.76 84.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.304 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.09 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.132 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.02 -51.15 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.61 -52.07 65.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.889 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -54.88 -48.03 73.52 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.03 0.532 . . . . 0.0 110.319 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -55.92 -57.46 12.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.594 0.758 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.4 mtm -61.49 -24.17 66.4 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.48 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 9.22 9.33 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.806 174.54 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -141.33 45.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -175.268 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.503 ' HHD' ' HG2' ' A' ' 23' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.84 37.56 0.08 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -175.63 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.46 -53.57 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.588 1.086 . . . . 0.0 112.96 178.759 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -38.2 -52.48 1.46 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.834 2.054 . . . . 0.0 112.963 -177.513 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.58 41.66 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.453 1.101 . . . . 0.0 112.553 -179.504 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mp -85.87 -52.55 5.67 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.7 1.2 . . . . 0.0 108.559 177.032 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -46.09 -40.89 11.51 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.732 1.613 . . . . 0.0 112.879 -176.788 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -18.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.638 1.175 . . . . 0.0 113.622 177.957 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -88.35 -48.6 7.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.425 1.09 . . . . 0.0 109.454 174.255 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 m -60.48 -30.64 69.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.225 1.81 . . . . 0.0 110.935 -175.454 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 pt -49.77 -27.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.761 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.33 -35.36 3.78 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.801 0.715 . . . . 0.0 111.886 176.885 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.6 m -114.05 -43.59 3.23 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.36 0.664 . . . . 0.0 109.995 176.2 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -73.81 -20.95 60.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -173.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.57 -177.51 43.72 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -178.888 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.59 -80.41 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.062 -0.67 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.73 51.68 2.08 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.731 1.212 . . . . 0.0 110.981 -175.286 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 0.92 0.01 OUTLIER Glycine 0 CA--C 1.54 1.621 0 C-N-CA 130.149 3.738 . . . . 0.0 119.716 175.907 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -79.18 48.43 0.87 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.937 1.869 . . . . 0.0 112.653 -173.604 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -75.3 169.32 18.29 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -178.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.7 68.28 1.07 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 172.099 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.82 -132.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.959 1.303 . . . . 0.0 111.522 -173.972 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptm -69.81 73.63 0.41 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.712 -0.618 . . . . 0.0 111.621 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.82 178.12 32.16 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.068 1.318 . . . . 0.0 110.706 -179.125 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -72.81 61.84 0.56 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.818 1.247 . . . . 0.0 111.655 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.79 150.2 36.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.452 1.101 . . . . 0.0 109.913 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -64.64 124.22 85.53 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.89 117.69 5.08 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.663 1.576 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.14 -40.91 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 C-N-CA 126.551 1.94 . . . . 0.0 113.913 178.402 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -25.94 89.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.599 2.76 . . . . 0.0 112.911 179.421 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.83 44.31 97.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 117.281 -1.844 . . . . 0.0 116.06 178.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.75 -53.29 57.05 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.19 2.495 . . . . 0.0 108.471 173.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.92 151.8 6.17 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 127.917 2.675 . . . . 0.0 108.402 176.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.13 90.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.539 1.669 . . . . 0.0 112.086 -177.124 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.72 -52.74 63.03 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -47.9 -62.08 1.64 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.805 1.642 . . . . 0.0 108.577 177.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.1 mt -53.81 -59.72 4.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.943 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -43.19 -53.61 4.95 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.367 1.067 . . . . 0.0 111.7 179.316 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -58.93 -47.95 83.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.396 178.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -60.74 -43.65 97.65 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.731 179.141 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.6 mmm -55.75 -49.66 72.5 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 120.889 1.677 . . . . 0.0 109.287 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -59.97 -44.18 94.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.85 -49.3 54.99 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.739 1.162 . . . . 0.0 110.987 178.591 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -42.07 70.5 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.32 177.306 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.51 66.08 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.825 1.193 . . . . 0.0 110.7 178.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.19 -40.52 64.71 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 39.4 7.05 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 127.17 2.319 . . . . 0.0 110.845 178.789 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -94.87 -63.2 1.2 Allowed 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 174.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.67 125.59 22.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 172.852 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.82 -45.84 0.67 Allowed Glycine 0 C--N 1.334 0.424 0 CA-C-O 122.062 0.812 . . . . 0.0 111.222 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.76 -73.81 1.41 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 103.874 -3.691 . . . . 0.0 103.874 -170.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -76.95 113.99 15.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 163.247 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -41.67 -35.7 0.82 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -171.658 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.317 0.5 OUTLIER 63.36 47.08 4.1 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.807 1.289 . . . . 0.0 109.017 -178.833 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.58 -45.37 4.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 129.286 3.034 . . . . 0.0 113.655 -179.248 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.84 -49.8 76.27 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.197 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.27 -50.56 71.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.0 m -45.97 -59.77 2.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.048 0.939 . . . . 0.0 110.741 176.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -42.55 94.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.885 -0.579 . . . . 0.0 110.648 -177.88 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.19 -58.96 6.17 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.207 0.458 . . . . 0.0 110.653 -178.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.81 -36.35 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 122.616 0.366 . . . . 0.0 111.032 -178.403 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.88 -24.86 39.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.604 0.762 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.29 -21.65 64.77 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.783 0.719 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.86 138.54 33.88 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.319 1.048 . . . . 0.0 110.461 -178.435 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -83.01 171.23 14.04 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.821 0.849 . . . . 0.0 108.936 177.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.46 -47.86 56.78 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.255 -0.903 . . . . 0.0 112.797 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -54.06 -50.72 66.12 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.603 0.716 . . . . 0.0 110.52 179.147 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.56 -48.85 77.66 Favored 'General case' 0 N--CA 1.426 -1.663 0 C-N-CA 124.166 0.986 . . . . 0.0 110.438 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -55.36 -51.51 66.54 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.551 0.74 . . . . 0.0 110.018 179.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -56.37 -45.08 80.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.838 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.72 80.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.46 -47.07 80.39 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.19 -58.25 8.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.593 173.573 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.68 -42.6 45.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.484 0.713 . . . . 0.0 111.952 179.146 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -58.16 -61.44 2.56 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.3 mtm -57.77 -23.93 54.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.4 m -67.36 -17.95 64.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.704 -0.665 . . . . 0.0 112.783 176.337 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -134.58 61.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 -176.556 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.251 34.0 tp . . . . . 0 N--CA 1.428 -1.557 0 CA-C-O 115.563 -2.161 . . . . 0.0 105.313 -171.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.403 ' CBD' ' HHA' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.43 90.63 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -175.344 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.92 -64.17 2.34 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.152 0.882 . . . . 0.0 115.208 170.785 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.77 -58.34 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.175 1.39 . . . . 0.0 112.602 -173.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.96 64.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.298 0.639 . . . . 0.0 112.096 -178.085 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.87 -52.91 31.1 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -47.24 -41.59 18.84 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 123.86 0.864 . . . . 0.0 112.833 -177.647 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -43.76 -37.59 2.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.255 0.622 . . . . 0.0 112.118 177.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -46.4 65.29 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.242 1.02 . . . . 0.0 110.887 178.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.31 -29.98 70.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.732 2.013 . . . . 0.0 110.741 -174.061 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -44.57 -37.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.246 0 C-N-CA 123.772 0.829 . . . . 0.0 109.773 173.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.36 3.36 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.472 1.034 . . . . 0.0 113.636 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 m -112.11 -35.35 5.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.109 0.954 . . . . 0.0 111.708 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -89.28 -27.78 20.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 -172.683 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 162.21 38.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -177.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.61 -56.54 14.68 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -85.93 33.38 0.6 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.315 1.046 . . . . 0.0 112.85 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.46 40.58 0.12 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 127.833 2.635 . . . . 0.0 115.658 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -99.53 -28.75 13.08 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -173.444 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -69.58 130.33 42.13 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 120.168 1.349 . . . . 0.0 108.824 -175.553 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.64 44.24 0.44 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.688 1.195 . . . . 0.0 112.783 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 24.59 -134.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.151 3.381 . . . . 0.0 115.82 179.23 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtp -70.28 69.32 0.37 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 74.05 0.81 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.72 0.676 . . . . 0.0 114.12 173.041 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m 79.02 68.53 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 124.452 1.101 . . . . 0.0 113.119 173.515 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.25 139.89 38.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 169.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -57.63 124.12 66.35 Favored Pre-proline 0 C--O 1.233 0.221 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 174.61 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.49 142.62 70.21 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 CA-C-N 120.041 1.05 . . . . 0.0 110.115 178.65 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.53 -41.82 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 109.483 -177.015 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -29.56 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.991 2.116 . . . . 0.0 111.799 -176.573 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.24 46.0 51.83 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 117.482 -1.732 . . . . 0.0 116.267 177.833 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.03 -51.05 65.26 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 120.807 2.303 . . . . 0.0 107.4 171.921 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.95 140.44 3.35 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 128.285 2.85 . . . . 0.0 110.552 170.43 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.23 -43.28 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.631 1.172 . . . . 0.0 113.796 -179.113 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.61 -52.56 63.9 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 123.68 0.792 . . . . 0.0 109.819 178.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -56.89 -63.97 1.03 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.3 mt -47.78 -47.18 30.89 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.834 1.653 . . . . 0.0 111.33 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -62.32 -51.75 66.43 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.295 0.952 . . . . 0.0 111.218 178.733 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -45.6 92.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.973 -177.564 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -69.11 -43.16 75.02 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 125.563 1.545 . . . . 0.0 110.917 -177.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.8 ppp? -67.14 -38.53 85.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.541 0.61 . . . . 0.0 109.546 178.559 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -61.2 -43.76 98.36 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 171.443 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.66 -40.83 48.93 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.616 1.579 . . . . 0.0 111.088 174.536 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -68.73 -44.96 72.74 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 124.002 0.921 . . . . 0.0 110.759 174.469 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.46 71.97 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.525 1.057 . . . . 0.0 109.942 175.5 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.44 5.73 14.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.44 1.096 . . . . 0.0 111.743 176.923 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.74 28.02 6.73 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 126.343 1.925 . . . . 0.0 113.789 -179.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.9 m -107.48 -41.65 5.01 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 117.745 0.773 . . . . 0.0 112.682 -173.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.01 75.74 0.92 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -173.597 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.51 -137.46 7.81 Favored Glycine 0 CA--C 1.525 0.687 0 O-C-N 120.981 -1.074 . . . . 0.0 110.501 177.701 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.18 171.59 33.39 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -11.63 -54.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.787 3.235 . . . . 0.0 116.874 -178.247 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -46.0 -29.68 1.54 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.655 1.182 . . . . 0.0 112.902 179.59 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -66.67 -12.16 57.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.37 -54.68 5.62 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -173.069 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -55.63 -56.87 15.26 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.091 0.948 . . . . 0.0 109.713 -178.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.3 ttp -53.91 -45.41 71.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.033 1.333 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.5 m -53.85 -55.43 26.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.061 0.944 . . . . 0.0 108.931 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -39.92 89.4 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.92 -59.74 4.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.064 0.393 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.26 -31.68 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 111.052 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -58.73 -22.85 58.66 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.62 0.646 . . . . 0.0 111.557 178.514 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -75.37 -17.07 60.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.98 0.809 . . . . 0.0 111.836 177.935 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.56 140.77 31.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.031 1.332 . . . . 0.0 110.982 -176.187 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -88.66 166.35 14.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.976 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -50.25 -39.73 45.69 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -176.275 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -56.32 -52.53 64.21 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.331 1.052 . . . . 0.0 109.37 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.79 -46.19 90.63 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.384 1.074 . . . . 0.0 109.144 178.551 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.3 mt -53.23 -58.17 7.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.288 0.949 . . . . 0.0 109.863 179.149 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -55.86 -47.35 77.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.316 0.579 . . . . 0.0 109.685 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.38 70.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.07 -0.491 . . . . 0.0 112.272 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -48.63 63.48 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 -179.746 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.49 -52.13 60.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.363 0.415 . . . . 0.0 110.267 175.548 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.6 -50.35 63.22 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 119.333 -0.365 . . . . 0.0 111.092 177.053 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.82 -59.25 5.31 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.965 0.412 . . . . 0.0 110.794 -179.208 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.1 mtm -52.1 -33.23 38.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 125.619 1.568 . . . . 0.0 112.492 176.676 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -76.05 0.68 17.83 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.104 177.834 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -133.3 39.46 3.25 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -178.938 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.427 -1.607 0 C-N-CA 125.642 1.577 . . . . 0.0 107.733 -171.67 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.407 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.49 151.63 36.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.213 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -34.39 -37.78 0.09 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.848 2.166 . . . . 0.0 116.714 178.373 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.41 73.59 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 119.142 1.471 . . . . 0.0 111.314 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.95 69.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.53 -44.72 73.06 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.253 1.421 . . . . 0.0 110.748 -179.55 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -51.61 -35.18 40.66 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -175.198 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -47.35 -49.88 23.4 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.203 0.456 . . . . 0.0 111.277 -178.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -17.76 12.87 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.675 1.59 . . . . 0.0 114.623 -178.681 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -91.87 -23.54 19.62 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.245 1.418 . . . . 0.0 111.456 -174.728 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.63 139.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 175.146 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.98 -44.18 1.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.215 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.82 -37.31 10.8 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 118.761 1.281 . . . . 0.0 108.874 176.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -110.11 -24.63 10.63 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.465 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.2 162.33 37.57 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.22 -4.7 14.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -124.75 19.59 8.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.548 1.939 . . . . 0.0 109.725 178.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.09 19.29 0.12 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 128.223 2.821 . . . . 0.0 115.77 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 p -97.33 -23.02 16.32 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -168.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -70.72 132.59 45.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 117.135 -1.826 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.62 103.69 2.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 175.35 0.38 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.241 0.616 . . . . 0.0 110.765 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mmm -30.84 128.79 0.13 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.421 1.888 . . . . 0.0 113.739 -176.548 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 55.32 31.32 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 123.669 0.652 . . . . 0.0 112.086 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 42.61 54.92 4.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.393 1.477 . . . . 0.0 112.801 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.57 57.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.986 -178.863 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.04 122.22 40.66 Favored Pre-proline 0 N--CA 1.44 -0.938 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 172.151 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.96 142.66 98.22 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.163 1.242 . . . . 0.0 108.999 -176.38 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.72 -52.6 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -176.619 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -21.09 86.97 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.978 2.911 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 47.68 3.35 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.061 1.315 . . . . 0.0 115.701 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.275 5.7 pt20 -58.95 -30.59 68.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.477 1.639 . . . . 0.0 110.512 176.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.46 134.33 1.63 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 127.383 2.42 . . . . 0.0 108.387 171.087 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.33 74.52 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.657 2.728 . . . . 0.0 110.565 -179.797 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.76 -54.96 27.09 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.712 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -47.67 -60.71 2.36 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.754 1.222 . . . . 0.0 109.501 177.305 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.61 -53.06 57.21 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.702 2.001 . . . . 0.0 110.445 -179.362 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -56.08 -54.48 44.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.332 0.514 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -59.25 -51.13 71.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.439 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -44.11 82.7 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.642 0.656 . . . . 0.0 111.108 -178.668 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -62.69 -40.13 96.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.817 0.735 . . . . 0.0 110.238 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -58.59 -55.77 30.82 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.86 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.0 -48.43 38.49 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.354 0.978 . . . . 0.0 111.448 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -59.41 -62.17 2.08 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.72 0.808 . . . . 0.0 109.814 178.197 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.08 68.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.796 0.726 . . . . 0.0 112.06 -178.027 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.54 -28.98 69.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.27 1.428 . . . . 0.0 111.439 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 30.74 16.28 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.656 -0.524 . . . . 0.0 111.833 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 p -108.86 -70.46 0.81 Allowed 'General case' 0 C--N 1.338 0.1 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.362 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -62.9 121.51 13.68 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.828 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.06 -176.66 47.19 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 165.08 29.03 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 106.77 -2.532 . . . . 0.0 106.77 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -6.3 -91.46 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.561 2.344 . . . . 0.0 115.489 -179.708 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -63.46 -38.82 92.6 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.23 -0.919 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -60.79 -17.97 52.48 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.119 0.968 . . . . 0.0 110.767 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.98 -32.97 22.74 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.797 -0.564 . . . . 0.0 110.991 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.2 -63.28 1.11 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 175.646 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 tpt -41.98 -44.78 3.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.806 2.442 . . . . 0.0 110.981 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -42.21 -46.0 4.29 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.162 1.385 . . . . 0.0 110.938 177.74 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -115.32 19.8 15.29 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 121.677 -0.639 . . . . 0.0 112.226 179.394 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.0 93.28 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 164.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.5 m -91.49 24.43 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.447 1.899 . . . . 0.0 111.928 176.214 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -10.82 81.82 0.0 OUTLIER 'General case' 0 C--N 1.346 0.419 0 C-N-CA 129.865 3.266 . . . . 0.0 114.472 175.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.7 42.78 3.05 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.325 -2.216 . . . . 0.0 112.683 176.791 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.33 141.12 6.86 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.636 1.175 . . . . 0.0 109.574 174.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t -78.49 162.55 26.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.163 0.585 . . . . 0.0 111.061 -175.243 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.21 -49.22 6.62 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -174.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.15 0.98 . . . . 0.0 110.163 179.15 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.35 -48.06 83.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.782 1.233 . . . . 0.0 109.225 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.19 -57.97 10.5 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.183 -177.816 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -54.98 -50.17 69.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.354 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.19 74.93 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 117.992 -1.004 . . . . 0.0 112.571 -179.552 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.8 -48.87 75.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 120.322 1.419 . . . . 0.0 107.458 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -55.61 28.9 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.645 0.202 . . . . 0.0 110.687 177.364 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -49.78 -51.7 37.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.112 0.565 . . . . 0.0 110.804 178.336 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -58.74 -50.95 72.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.287 0.635 . . . . 0.0 110.791 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtm -62.05 -19.67 63.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.844 0.858 . . . . 0.0 112.294 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 m -89.27 7.67 34.36 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.745 1.218 . . . . 0.0 112.179 173.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.67 48.03 1.74 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.576 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 -172.086 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.438 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 119.171 -0.442 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t0 49.45 60.04 4.06 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.803 2.041 . . . . 0.0 114.751 174.581 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.67 -68.58 0.99 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.261 0.934 . . . . 0.0 114.548 173.474 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.66 -61.08 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.276 1.43 . . . . 0.0 111.399 -174.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 48.66 1.4 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.038 0.535 . . . . 0.0 110.192 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.2 mt -147.54 -58.02 0.25 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.544 2.738 . . . . 0.0 105.746 175.218 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -45.26 -40.67 7.74 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.316 1.447 . . . . 0.0 112.651 -178.355 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -43.44 -35.38 1.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.12 0.968 . . . . 0.0 112.603 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.24 -46.69 48.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.63 0.772 . . . . 0.0 110.295 178.649 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -59.71 -35.21 74.05 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.962 1.705 . . . . 0.0 110.025 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -46.46 -34.13 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.566 0.746 . . . . 0.0 110.459 175.609 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.15 -36.66 7.36 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.502 0.572 . . . . 0.0 112.734 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.4 -38.08 5.57 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.924 0.89 . . . . 0.0 110.972 179.419 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -81.9 -33.36 30.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -173.54 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.43 170.75 47.23 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.626 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.11 -72.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.425 0.69 . . . . 0.0 111.359 -177.144 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.62 36.02 0.69 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.04 0.936 . . . . 0.0 112.067 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.25 36.75 4.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.665 2.079 . . . . 0.0 114.539 179.112 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -113.49 -6.53 13.45 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.199 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -79.22 157.5 27.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 121.061 1.755 . . . . 0.0 110.52 -178.19 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 122.86 18.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.13 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.3 -129.38 0.09 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.444 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.7 mmt -72.62 73.05 1.05 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.586 -0.696 . . . . 0.0 110.0 177.132 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.93 -151.97 28.03 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 64.85 0.16 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.799 1.64 . . . . 0.0 112.505 -178.101 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 137.12 36.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.272 1.029 . . . . 0.0 109.17 178.252 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -56.84 124.11 62.44 Favored Pre-proline 0 C--O 1.233 0.228 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.062 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.46 143.35 88.01 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 N-CA-C 106.947 -1.982 . . . . 0.0 106.947 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 t -103.3 33.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.966 1.306 . . . . 0.0 110.411 -171.565 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 57.28 1.87 Allowed 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 124.967 1.307 . . . . 0.0 108.831 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.2 74.46 0.85 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.906 1.241 . . . . 0.0 113.203 -178.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.72 -53.48 57.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 173.366 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.5 135.35 1.8 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 127.522 2.487 . . . . 0.0 108.349 172.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.9 -45.83 15.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.37 2.085 . . . . 0.0 113.494 -176.564 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -60.5 -53.94 51.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.251 0.62 . . . . 0.0 109.839 179.645 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -52.35 -58.64 6.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.419 1.488 . . . . 0.0 108.386 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.1 mt -49.48 -64.31 0.85 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 127.017 2.127 . . . . 0.0 109.702 179.36 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -40.82 -58.08 1.77 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.705 1.139 . . . . 0.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -53.16 -49.82 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.675 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -60.38 -56.67 18.65 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.914 179.017 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -41.83 75.45 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.564 1.529 . . . . 0.0 110.946 178.314 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.46 -52.34 64.93 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.56 -43.91 45.99 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.954 1.74 . . . . 0.0 111.795 178.238 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.76 -60.41 2.92 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.605 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -46.21 64.96 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.044 0.384 . . . . 0.0 111.972 -177.398 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -77.52 7.32 5.65 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.24 30.99 79.2 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.237 0.922 . . . . 0.0 114.69 175.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -103.02 -54.69 2.57 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 118.175 0.988 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -80.16 68.14 6.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.138 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.97 -172.45 41.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.54 0.42 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -133.5 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.391 1.077 . . . . 0.0 108.67 178.698 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -50.03 -31.99 14.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.169 0.895 . . . . 0.0 111.0 176.164 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -52.95 -26.24 14.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.182 1.793 . . . . 0.0 112.663 178.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.62 63.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.822 0.449 . . . . 0.0 110.428 174.373 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ttt -67.32 -49.15 65.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.694 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.7 mmm -50.93 -46.29 60.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.869 1.667 . . . . 0.0 109.97 178.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 m -47.33 -35.49 8.14 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.092 0.557 . . . . 0.0 111.512 175.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . 0.354 0.7 OUTLIER -114.32 23.31 12.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.988 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.71 -54.93 3.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 163.453 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.95 40.12 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.878 1.271 . . . . 0.0 108.588 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -17.37 -69.17 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 130.015 3.326 . . . . 0.0 117.262 -170.838 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 34.73 2.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.699 0.625 . . . . 0.0 109.922 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 126.15 16.96 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 p -92.47 167.59 11.86 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.68 0.792 . . . . 0.0 109.409 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.6 -53.96 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.691 1.196 . . . . 0.0 114.185 -176.185 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.73 -54.51 32.71 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.436 0.636 . . . . 0.0 109.955 178.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.44 -51.13 71.15 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.555 1.142 . . . . 0.0 109.652 -178.079 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -57.93 -56.7 18.53 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.165 1.386 . . . . 0.0 110.877 -177.765 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -44.09 96.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.868 0.467 . . . . 0.0 109.891 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.53 -33.93 73.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.227 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -66.87 -50.66 61.79 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 177.539 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.31 59.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 123.492 0.495 . . . . 0.0 110.041 175.546 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.02 -51.24 68.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.642 0.377 . . . . 0.0 110.657 178.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -53.43 -60.73 2.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.09 0.556 . . . . 0.0 110.188 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 mtm -59.27 -31.96 69.58 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.699 0.799 . . . . 0.0 112.821 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -74.4 3.25 7.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.332 175.067 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -140.74 50.19 1.67 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 C--O 1.253 1.265 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -172.253 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 116.83 -1.557 . . . . 0.0 108.069 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.89 151.29 34.42 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 120.365 1.439 . . . . 0.0 111.486 179.537 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -20.18 -55.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 C-N-CA 128.943 3.163 . . . . 0.0 116.558 173.916 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.85 -42.26 26.04 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.14 0.576 . . . . 0.0 111.97 -177.83 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.47 89.86 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.188 0.595 . . . . 0.0 111.649 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.44 -47.18 64.85 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.072 0.949 . . . . 0.0 109.687 -179.249 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -47.06 -37.08 8.91 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -47.12 -28.25 1.71 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.779 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -88.22 -46.99 8.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 110.121 175.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m -55.19 -35.21 64.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.932 2.093 . . . . 0.0 111.293 -175.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.3 pt -54.45 -22.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.957 178.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.05 -34.24 11.61 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 118.85 0.75 . . . . 0.0 111.935 174.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 m -111.99 -42.54 3.75 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.72 0.76 . . . . 0.0 110.364 177.423 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -74.58 -22.55 58.92 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -174.964 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -70.8 2.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.582 1.087 . . . . 0.0 112.233 175.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.13 -77.99 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 117.097 0.448 . . . . 0.0 110.246 -178.336 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -59.97 -40.76 90.18 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 123.159 0.584 . . . . 0.0 111.831 -179.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.68 13.91 15.39 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.89 1.233 . . . . 0.0 111.221 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -67.64 -42.91 81.5 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.265 1.033 . . . . 0.0 109.733 177.002 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 41.42 -141.41 0.09 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.72 2.008 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 143.62 62.9 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 1 C-N-CA 132.768 4.427 . . . . 0.0 102.37 -175.227 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.21 -127.93 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.483 1.113 . . . . 0.0 111.22 -172.123 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.3 mmt -70.24 75.58 0.52 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.046 0.538 . . . . 0.0 110.563 -179.53 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -178.55 37.37 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.094 1.331 . . . . 0.0 110.522 -178.756 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -75.79 65.99 2.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.073 0.949 . . . . 0.0 109.037 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.39 149.86 42.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.461 1.104 . . . . 0.0 110.475 -178.992 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.25 118.87 30.65 Favored Pre-proline 0 N--CA 1.439 -0.986 0 C-N-CA 125.181 1.392 . . . . 0.0 109.44 177.852 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.98 135.19 62.87 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.647 2.231 . . . . 0.0 111.944 178.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -74.85 -39.23 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.81 0.844 . . . . 0.0 111.111 -179.142 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -31.86 94.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.122 1.769 . . . . 0.0 112.037 -176.571 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.0 2.39 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.428 1.966 . . . . 0.0 115.647 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -48.49 -58.43 4.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 123.115 1.436 . . . . 0.0 109.732 176.039 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.98 132.86 1.56 Allowed Glycine 0 C--O 1.219 -0.836 0 C-N-CA 127.872 2.653 . . . . 0.0 106.917 174.113 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.24 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 121.133 2.467 . . . . 0.0 112.432 -176.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -53.47 55.08 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.11 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -49.97 -61.11 2.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.056 1.342 . . . . 0.0 108.912 177.55 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -49.23 -64.14 0.89 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.143 1.777 . . . . 0.0 109.144 179.313 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -40.17 -55.32 2.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 119.104 0.866 . . . . 0.0 111.518 178.987 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.37 -43.46 92.87 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -64.64 -56.98 10.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.759 0.824 . . . . 0.0 111.258 178.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -39.27 75.71 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 119.929 1.24 . . . . 0.0 110.19 177.703 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -60.21 -54.77 41.86 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.456 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.05 -50.45 21.76 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 125.65 1.595 . . . . 0.0 110.596 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -59.47 -64.77 0.82 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.135 0.574 . . . . 0.0 109.671 177.015 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -46.25 43.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.226 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -75.11 -9.7 58.78 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.15 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.81 7.02 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 118.664 0.665 . . . . 0.0 113.346 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.5 p -120.21 -77.44 0.58 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.029 0.914 . . . . 0.0 109.436 175.935 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.12 123.26 16.03 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.25 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.21 -167.78 40.31 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.487 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.5 109.09 0.94 Allowed Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.215 1.388 . . . . 0.0 111.212 -175.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.2 -103.66 0.12 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.683 1.993 . . . . 0.0 112.181 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -58.15 -39.22 78.24 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.175 -0.953 . . . . 0.0 109.658 177.462 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -72.63 -31.36 65.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.884 1.274 . . . . 0.0 108.828 176.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.21 93.66 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.455 -0.778 . . . . 0.0 110.219 177.706 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.7 tpt -60.26 -53.79 53.43 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 174.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.54 -43.6 17.17 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 126.881 2.073 . . . . 0.0 110.781 179.293 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.7 m -38.82 -45.74 1.19 Allowed 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.188 1.395 . . . . 0.0 111.422 177.728 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -114.5 13.16 17.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.33 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 164.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.93 28.9 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.631 1.572 . . . . 0.0 111.207 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -14.16 83.64 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.418 3.487 . . . . 0.0 114.361 175.084 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 48.99 38.49 12.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 112.535 -2.121 . . . . 0.0 112.619 174.029 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.27 132.53 16.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 109.906 174.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.68 171.31 14.13 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.979 0.911 . . . . 0.0 111.592 -175.348 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -52.0 -50.69 60.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.278 -0.888 . . . . 0.0 113.019 -178.206 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -51.97 -51.99 53.44 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 124.142 0.977 . . . . 0.0 109.643 178.118 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.83 -60.4 3.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 113.697 -1.592 . . . . 0.0 108.746 179.881 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -52.9 -53.34 50.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.152 1.381 . . . . 0.0 112.318 -176.611 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.66 -51.54 69.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 -177.505 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.73 74.2 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.0 -179.381 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD23 ' CMB' ' A' ' 80' ' ' HEC . 15.6 tp -64.03 -52.46 59.36 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.566 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.46 69.65 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.255 0.222 . . . . 0.0 110.525 176.57 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.2 -47.39 72.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.918 -0.128 . . . . 0.0 110.762 177.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -58.61 -50.3 74.33 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.286 0.634 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.6 mmt -58.59 -33.53 70.08 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.95 -0.469 . . . . 0.0 111.203 178.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 m -78.93 10.18 3.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.846 1.258 . . . . 0.0 113.15 176.454 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -142.67 45.68 1.6 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 178.156 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 N--CA 1.435 -1.217 0 C-N-CA 126.455 1.902 . . . . 0.0 106.05 -175.185 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.419 ' CMB' HD23 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 117.441 -1.266 . . . . 0.0 107.937 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.37 139.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.647 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -6.84 -63.66 0.01 OUTLIER Glycine 0 C--N 1.339 0.729 0 C-N-CA 129.803 3.573 . . . . 0.0 116.354 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.2 5.42 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.594 1.157 . . . . 0.0 111.446 -179.7 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.69 86.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.791 0.836 . . . . 0.0 111.515 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mp -66.07 -47.85 72.93 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -46.66 -39.7 11.82 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.019 0.928 . . . . 0.0 113.475 -175.868 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -47.25 -36.99 9.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.721 1.209 . . . . 0.0 111.882 178.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -66.52 -45.72 78.58 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.93 0.871 . . . . 0.0 110.375 178.581 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.29 -35.51 79.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.172 1.789 . . . . 0.0 110.055 -174.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -47.47 -37.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 123.271 0.628 . . . . 0.0 109.599 175.233 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.54 -30.82 6.56 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.808 -0.996 . . . . 0.0 113.423 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -113.88 -43.89 3.22 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.759 1.279 . . . . 0.0 110.002 -178.717 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -76.34 -22.17 55.25 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -176.049 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.32 172.55 49.13 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -173.858 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.64 -71.72 0.08 Allowed 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.557 . . . . 0.0 110.98 -177.715 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -86.91 60.45 6.23 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.953 0.901 . . . . 0.0 109.946 -178.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 4.65 70.69 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 1 C-N-CA 130.705 4.003 . . . . 0.0 115.679 179.129 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -139.06 -1.2 1.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.968 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.29 121.24 15.27 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.813 1.188 . . . . 0.0 110.546 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 66.49 2.49 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.136 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.44 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.288 1.835 . . . . 0.0 111.879 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.2 71.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.526 1.13 . . . . 0.0 108.251 179.148 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -172.57 55.12 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -178.026 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 m -71.04 63.02 0.31 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.003 1.321 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 134.43 54.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.353 0.661 . . . . 0.0 109.833 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -55.23 125.93 59.76 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 174.135 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -53.18 135.47 59.69 Favored 'Trans proline' 0 N--CA 1.444 -1.441 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 176.428 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.86 -41.29 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -178.364 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -29.31 93.52 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.941 2.496 . . . . 0.0 111.737 176.806 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 56.41 41.98 88.74 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 117.281 1.673 . . . . 0.0 117.281 176.317 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -54.59 -53.63 52.02 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 120.504 2.152 . . . . 0.0 108.187 172.552 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.12 136.52 2.17 Favored Glycine 0 C--O 1.222 -0.64 0 CA-C-N 112.108 -2.315 . . . . 0.0 109.892 174.419 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.77 -42.8 8.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.761 1.781 . . . . 0.0 113.04 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.89 -51.07 66.25 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 123.391 0.676 . . . . 0.0 110.328 179.119 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.1 -58.5 7.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.354 1.062 . . . . 0.0 108.621 178.651 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -55.12 -48.14 74.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.078 1.351 . . . . 0.0 110.8 -178.72 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.14 -51.64 69.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.391 0.541 . . . . 0.0 110.636 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.14 -51.29 69.72 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.684 0.278 . . . . 0.0 111.471 -177.455 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.02 -41.26 95.47 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.89 0.876 . . . . 0.0 110.833 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.261 3.3 ppp? -67.79 -42.25 81.94 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 179.111 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -57.24 -39.98 76.65 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 170.051 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.43 -62.96 3.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 126.772 2.129 . . . . 0.0 109.358 174.074 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -59.97 -40.36 88.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.801 0.84 . . . . 0.0 110.463 178.74 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.29 81.03 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 123.145 0.578 . . . . 0.0 110.844 178.249 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.43 -45.31 55.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.462 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.56 -5.76 33.29 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.666 1.127 . . . . 0.0 112.175 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -70.66 -56.24 6.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.086 0.943 . . . . 0.0 109.468 178.864 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.14 107.93 0.82 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.559 179.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.64 -77.84 1.23 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-O 122.04 0.8 . . . . 0.0 111.842 178.076 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 -64.73 0.25 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.84 2.162 . . . . 0.0 115.295 175.823 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.55 -93.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.505 2.322 . . . . 0.0 114.214 -172.568 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -58.4 -24.3 59.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.908 -1.12 . . . . 0.0 112.159 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.49 -24.22 67.54 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.378 2.271 . . . . 0.0 110.262 177.492 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -10.57 -65.16 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 128.612 2.765 . . . . 0.0 116.483 -178.859 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ptp -49.05 -53.24 21.14 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.866 0.841 . . . . 0.0 110.91 179.458 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.0 ttp -64.14 -52.48 58.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.496 1.518 . . . . 0.0 108.131 177.351 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -45.14 -57.28 4.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.817 0.847 . . . . 0.0 110.619 -178.836 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -46.54 89.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 110.335 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.23 13.21 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 117.985 0.357 . . . . 0.0 110.721 -178.447 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.53 -33.83 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 O-C-N 121.879 -0.513 . . . . 0.0 111.533 -179.138 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.06 -25.7 59.1 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.316 0.962 . . . . 0.0 111.185 178.582 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.43 -11.48 59.95 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.47 171.55 9.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.433 1.093 . . . . 0.0 110.291 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.0 p -120.98 167.65 12.35 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.254 1.022 . . . . 0.0 110.81 -178.122 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -45.49 -47.66 14.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -176.033 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.16 -50.23 73.47 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.581 0.752 . . . . 0.0 110.777 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.87 -47.69 82.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.115 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.71 -58.65 6.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.275 0.63 . . . . 0.0 111.11 -177.454 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -52.64 -46.73 67.23 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.504 0.721 . . . . 0.0 109.203 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.02 79.51 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -49.27 64.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 105.763 -1.939 . . . . 0.0 105.763 -178.741 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.31 -50.06 65.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.802 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.11 -52.14 59.63 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 117.945 0.339 . . . . 0.0 110.698 177.78 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -54.01 -59.99 3.92 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.034 0.445 . . . . 0.0 110.204 178.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.8 mtm -56.38 -25.96 51.41 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.64 1.176 . . . . 0.0 113.292 179.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -76.41 -6.12 50.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.263 176.702 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -133.76 52.08 2.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -178.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 -171.46 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.9 152.58 7.21 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.898 0.879 . . . . 0.0 110.284 178.883 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.91 -65.47 3.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -178.429 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.271 1.028 . . . . 0.0 112.441 -177.248 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.73 79.06 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.213 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.33 -50.89 68.46 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -179.133 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -47.53 -36.46 10.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.601 0.761 . . . . 0.0 112.931 -178.963 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -57.61 -15.4 7.37 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -178.754 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -87.61 -31.12 19.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.502 1.046 . . . . 0.0 110.986 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.3 m -71.84 -28.67 63.72 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.49 1.516 . . . . 0.0 111.955 -173.056 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 pt -47.9 -31.94 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.865 0.866 . . . . 0.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.11 -34.24 5.86 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.099 0.857 . . . . 0.0 112.297 177.744 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -114.23 -40.33 3.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.487 0.715 . . . . 0.0 110.24 177.074 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -78.77 -5.11 52.43 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -174.856 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.19 -152.12 47.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 178.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.16 -0.17 39.08 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.06 -85.61 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.185 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.61 41.5 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -102.99 17.34 24.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.822 1.649 . . . . 0.0 110.179 177.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 175.75 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.075 1.879 . . . . 0.0 116.075 -175.875 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.99 73.44 1.42 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 170.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.55 -142.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.782 1.233 . . . . 0.0 111.966 -172.707 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.8 mtt -67.32 83.3 0.15 Allowed 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.583 -0.698 . . . . 0.0 110.671 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.16 172.01 48.16 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.506 1.05 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.41 109.42 0.3 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.602 1.161 . . . . 0.0 109.708 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.21 51.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.206 1.002 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.52 111.16 2.63 Favored Pre-proline 0 N--CA 1.436 -1.136 0 C-N-CA 125.814 1.646 . . . . 0.0 108.092 175.387 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -61.55 103.73 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.661 1.574 . . . . 0.0 108.913 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 t -37.02 -44.6 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 126.178 1.791 . . . . 0.0 113.24 -177.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 106.19 0.21 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.793 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.19 -38.14 2.38 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.556 -1.136 . . . . 0.0 114.065 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.261 8.0 pm0 -75.78 156.41 34.57 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.857 1.828 . . . . 0.0 109.377 178.885 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.22 159.17 15.69 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -168.529 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.57 2.22 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 127.352 2.261 . . . . 0.0 112.781 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -56.62 -43.46 80.24 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.489 1.515 . . . . 0.0 111.238 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -79.74 -52.29 8.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.7 mt -50.61 -62.35 1.65 Allowed 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 125.381 1.472 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -44.13 -53.59 6.31 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 124.477 1.111 . . . . 0.0 112.374 -179.555 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -57.27 -44.8 84.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.351 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.79 -50.53 62.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.248 -0.882 . . . . 0.0 112.948 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -37.58 78.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.696 1.589 . . . . 0.0 109.95 175.261 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.29 -46.94 88.24 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.184 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.96 -49.68 65.57 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.945 1.259 . . . . 0.0 111.506 178.217 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -58.11 -57.96 10.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.116 0.966 . . . . 0.0 108.399 177.025 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.2 -43.98 67.6 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.901 -0.499 . . . . 0.0 111.787 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.3 -34.4 78.04 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.427 1.091 . . . . 0.0 110.661 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.4 24.82 20.55 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.116 0.865 . . . . 0.0 111.5 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -98.1 -67.92 0.82 Allowed 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.997 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.59 74.18 1.06 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.19 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.57 -175.95 27.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -177.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 173.09 39.64 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.77 -51.02 23.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.812 0.845 . . . . 0.0 112.373 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -60.47 -22.84 63.95 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.677 0.791 . . . . 0.0 112.651 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -95.37 -21.97 18.03 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.489 1.116 . . . . 0.0 111.486 -177.878 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -30.76 -56.47 0.21 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -175.584 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.9 mmm -55.04 -55.36 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 110.497 -179.24 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -57.86 -44.53 86.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.538 0.735 . . . . 0.0 109.635 177.793 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -52.15 -52.34 52.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.151 0.98 . . . . 0.0 108.721 -179.346 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.94 95.73 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.221 -0.299 . . . . 0.0 110.622 178.062 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.53 65.34 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.096 0.407 . . . . 0.0 110.311 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.1 m -71.87 -27.58 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.668 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -33.76 53.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.723 1.147 . . . . 0.0 110.383 175.94 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -68.39 -20.83 64.71 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.2 122.63 34.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.196 1.398 . . . . 0.0 109.948 -178.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -170.12 2.64 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.347 0.659 . . . . 0.0 109.808 177.474 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.24 -53.65 50.72 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.43 -47.8 75.43 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 122.238 1.018 . . . . 0.0 110.596 -177.637 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -56.64 -55.16 37.53 Favored 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 125.827 1.651 . . . . 0.0 109.453 178.498 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.71 -47.73 76.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.419 0.688 . . . . 0.0 111.063 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.01 -49.52 73.44 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.46 78.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.64 -50.56 68.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.45 68.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.221 175.095 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -53.82 -51.7 62.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.83 0.452 . . . . 0.0 111.117 -179.335 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -52.91 -61.78 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.31 0.576 . . . . 0.0 110.57 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.1 mtm -62.72 -30.27 71.29 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -61.2 -6.87 2.31 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.351 0.978 . . . . 0.0 113.218 177.278 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.48 -11.65 58.34 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.56 1.073 . . . . 0.0 110.63 177.227 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 125.963 1.705 . . . . 0.0 109.983 -178.101 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.19 45.35 0.16 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.349 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.79 -48.43 1.3 Allowed Glycine 0 CA--C 1.533 1.164 0 CA-C-N 119.437 1.017 . . . . 0.0 115.062 176.518 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.45 -45.82 6.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.49 1.516 . . . . 0.0 113.39 -176.469 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.36 64.64 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 110.681 178.62 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.62 -39.81 95.31 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.555 1.542 . . . . 0.0 110.122 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.93 -22.78 6.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.333 1.053 . . . . 0.0 113.16 -179.317 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -56.23 -32.67 64.66 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.422 -0.799 . . . . 0.0 110.745 175.052 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -95.81 37.62 1.21 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.866 0.866 . . . . 0.0 110.191 176.728 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -142.33 -46.06 0.33 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 126.036 1.735 . . . . 0.0 110.042 -174.724 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -52.33 139.36 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 171.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.49 -44.66 1.46 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.206 -1.957 . . . . 0.0 108.206 -173.199 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.7 -45.22 6.77 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.678 1.239 . . . . 0.0 107.873 175.815 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.31 -32.44 14.3 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.169 0.587 . . . . 0.0 111.823 -179.708 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.41 172.77 45.82 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.706 0.669 . . . . 0.0 111.994 178.137 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.92 -47.92 8.46 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.407 1.483 . . . . 0.0 112.185 -178.091 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.73 -98.98 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 174.739 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.11 56.44 0.05 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 176.334 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -152.88 1.9 0.3 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.053 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -73.47 167.76 20.63 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.869 1.668 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.56 124.35 22.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.275 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.25 -133.35 0.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.447 ' HG2' ' HHD' ' A' ' 80' ' ' HEC . 1.4 ptm -77.0 63.3 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.811 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.92 -169.89 24.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 -173.583 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 134.47 43.22 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.972 0.909 . . . . 0.0 110.861 179.382 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.88 141.3 17.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.029 0.532 . . . . 0.0 110.114 -179.073 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.78 136.27 86.85 Favored Pre-proline 0 N--CA 1.437 -1.083 0 C-N-CA 125.365 1.466 . . . . 0.0 107.864 172.497 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.27 138.08 35.4 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 108.185 -1.506 . . . . 0.0 108.185 177.345 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -36.25 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 C-N-CA 122.44 0.296 . . . . 0.0 110.532 -179.593 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -37.69 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.29 1.836 . . . . 0.0 112.277 -177.235 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.02 42.14 99.71 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 117.253 -1.859 . . . . 0.0 115.644 177.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.11 -64.99 0.72 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 121.45 2.625 . . . . 0.0 108.008 174.633 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.04 129.79 1.13 Allowed Glycine 0 CA--C 1.523 0.577 0 CA-C-N 112.888 -1.96 . . . . 0.0 108.971 173.646 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.2 -41.53 3.83 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.773 1.787 . . . . 0.0 112.886 -178.532 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.37 -55.23 37.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.06 0.544 . . . . 0.0 110.451 176.698 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.96 -58.66 7.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.077 1.351 . . . . 0.0 108.281 -179.376 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.0 mt -52.96 -46.33 68.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.099 1.36 . . . . 0.0 111.07 -178.764 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -60.94 -51.24 70.12 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 118.71 0.687 . . . . 0.0 110.952 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -60.22 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.939 -179.347 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.1 -51.45 69.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.094 0.958 . . . . 0.0 111.066 179.466 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -63.97 -42.19 97.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.476 0.71 . . . . 0.0 110.579 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.55 -42.28 98.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.669 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.47 -48.46 75.99 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 177.369 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.4 -53.04 62.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 123.559 0.744 . . . . 0.0 109.063 176.591 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.45 -46.58 66.5 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.397 0.679 . . . . 0.0 111.848 178.734 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.72 -39.14 90.85 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.097 0.559 . . . . 0.0 110.194 178.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 -8.62 45.86 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.759 1.171 . . . . 0.0 111.366 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -62.62 -63.69 1.14 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.568 1.147 . . . . 0.0 108.303 179.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.14 66.28 3.71 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 175.202 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.85 -118.06 0.44 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -177.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.43 -52.2 2.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.26 0.933 . . . . 0.0 114.478 176.505 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.41 -145.04 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.168 0.987 . . . . 0.0 110.657 -178.22 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -41.98 -39.95 2.05 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.423 1.489 . . . . 0.0 111.21 177.53 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -41.3 -33.14 0.35 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 128.661 2.785 . . . . 0.0 113.216 176.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.16 -47.33 0.28 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.889 1.676 . . . . 0.0 114.554 -179.046 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.9 mmt -58.37 -54.31 48.41 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.627 0.727 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.1 ttp -58.07 -50.73 72.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.319 1.048 . . . . 0.0 108.624 178.185 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -45.45 -58.27 3.48 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.036 0.934 . . . . 0.0 109.559 177.394 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -41.08 92.7 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.017 -178.947 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.69 7.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.387 0.539 . . . . 0.0 110.533 -179.088 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.4 m -64.89 -30.51 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.991 -0.443 . . . . 0.0 111.379 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -55.71 -25.31 39.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.585 0.629 . . . . 0.0 111.709 178.403 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -70.23 -19.22 63.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.536 0.607 . . . . 0.0 111.963 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.93 39.4 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.488 1.115 . . . . 0.0 111.522 -177.643 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -78.11 167.92 20.68 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 110.043 178.502 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.64 -49.19 48.18 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.012 -1.055 . . . . 0.0 112.679 -179.396 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.44 -49.66 66.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.545 0.738 . . . . 0.0 110.268 178.421 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.99 -51.09 68.19 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.743 -179.067 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -51.29 -55.36 18.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.575 1.15 . . . . 0.0 109.454 178.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -49.53 73.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.372 0.606 . . . . 0.0 109.977 178.409 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.72 71.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.702 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -73.25 -39.36 65.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -178.848 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.18 70.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.285 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -52.9 -51.9 59.58 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.09 -57.76 8.59 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.613 0.765 . . . . 0.0 110.344 178.13 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.17 -29.21 65.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.64 0.376 . . . . 0.0 111.76 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -75.83 -3.63 36.19 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.577 177.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -142.0 57.74 1.48 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 -178.063 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 N--CA 1.434 -1.273 0 C-N-CA 126.426 1.891 . . . . 0.0 108.059 -172.458 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 80' ' ' HEC . . . . . 0.447 ' HHD' ' HG2' ' A' ' 23' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.38 -46.37 13.15 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.657 0.783 . . . . 0.0 112.107 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.778 0.431 . . . . 0.0 111.289 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.55 -44.05 79.2 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -50.66 -40.68 54.09 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -44.04 -40.63 4.94 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -73.47 -42.91 61.32 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.247 1.022 . . . . 0.0 111.091 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.91 -32.77 61.46 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 129.016 2.926 . . . . 0.0 111.241 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -45.15 -37.62 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.026 0.931 . . . . 0.0 109.794 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.0 -36.44 27.5 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 119.247 -0.752 . . . . 0.0 113.384 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.14 -23.71 10.28 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.51 1.155 . . . . 0.0 112.842 -176.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -107.41 -21.11 13.04 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 -174.12 55.29 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.37 -72.98 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.238 -0.566 . . . . 0.0 110.35 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.74 51.31 1.86 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.757 1.223 . . . . 0.0 110.153 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 22.39 60.29 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.605 3.003 . . . . 0.0 116.218 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -141.06 -4.57 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -68.75 158.89 33.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 121.266 1.848 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.55 122.56 16.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.4 -139.38 0.08 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 mtt -73.74 72.12 1.49 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.39 -165.25 29.9 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -65.27 116.09 6.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.054 0.942 . . . . 0.0 109.344 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.39 149.76 48.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.88 0.872 . . . . 0.0 108.781 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.13 133.59 92.77 Favored Pre-proline 0 N--CA 1.433 -1.321 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.23 142.25 41.14 Favored 'Trans proline' 0 N--CA 1.445 -1.349 0 N-CA-C 108.998 -1.193 . . . . 0.0 108.998 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -70.57 -36.92 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.993 1.317 . . . . 0.0 108.99 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -20.08 92.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.07 2.548 . . . . 0.0 112.418 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.93 48.68 3.38 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 126.72 2.105 . . . . 0.0 115.419 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -53.68 -54.52 36.67 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.031 1.916 . . . . 0.0 108.357 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.82 143.19 3.63 Favored Glycine 0 C--O 1.223 -0.576 0 C-N-CA 127.71 2.576 . . . . 0.0 109.946 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.24 -41.23 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.988 1.315 . . . . 0.0 111.847 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.02 -55.56 32.53 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.081 0.553 . . . . 0.0 110.252 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.98 -59.77 4.57 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 125.622 1.569 . . . . 0.0 109.15 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 mt -54.68 -45.75 73.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.742 1.217 . . . . 0.0 110.57 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.11 -53.38 59.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.641 0.655 . . . . 0.0 110.363 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.91 -47.02 86.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.742 0.246 . . . . 0.0 111.541 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -65.71 -49.47 68.37 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.937 -0.477 . . . . 0.0 111.268 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.44 -40.34 96.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.44 0.564 . . . . 0.0 110.012 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.45 -48.86 79.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.13 -50.9 32.36 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 125.375 1.464 . . . . 0.0 110.285 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.38 -58.68 6.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.885 0.874 . . . . 0.0 110.19 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.18 -45.96 61.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.682 0.674 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.27 -35.79 71.48 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.716 0.806 . . . . 0.0 111.122 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.2 14.64 35.32 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.573 1.082 . . . . 0.0 111.628 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -40.13 42.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.965 0.906 . . . . 0.0 108.77 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -106.22 136.49 45.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.83 -169.84 41.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.18 173.63 33.98 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 107.27 -2.332 . . . . 0.0 107.27 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -40.57 -69.08 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.797 1.239 . . . . 0.0 112.841 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -60.44 -25.03 65.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.13 -21.92 60.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.709 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.65 4.25 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.5 ttt -57.38 -54.27 48.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.336 0.588 . . . . 0.0 110.013 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 ttp -54.73 -45.64 74.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.588 0.755 . . . . 0.0 110.144 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -57.61 6.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.836 1.254 . . . . 0.0 108.797 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -36.03 82.13 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.763 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.7 64.39 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.981 0.809 . . . . 0.0 110.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.77 -29.46 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.516 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -47.37 -32.03 4.52 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.972 0.909 . . . . 0.0 112.461 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -57.56 -34.16 68.88 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 123.22 0.608 . . . . 0.0 111.527 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 123.3 18.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.142 0.977 . . . . 0.0 110.636 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.93 -69.57 0.51 Allowed 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -157.67 -55.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.888 0.475 . . . . 0.0 110.502 -176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -54.21 -49.56 69.13 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -53.71 -53.14 56.35 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 127.92 2.488 . . . . 0.0 109.88 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.93 -55.16 33.72 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.585 0.629 . . . . 0.0 110.446 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.15 -51.92 67.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.595 0.712 . . . . 0.0 110.772 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.47 73.99 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.232 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.34 -45.52 79.94 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -52.72 64.39 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.435 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -52.29 -51.43 58.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.213 0.205 . . . . 0.0 111.181 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.52 -57.35 12.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.133 0.973 . . . . 0.0 109.996 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 mtm -57.22 -29.7 63.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.953 0.501 . . . . 0.0 111.672 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -70.89 -3.85 21.33 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 117.814 -1.088 . . . . 0.0 113.096 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.29 45.48 2.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 N--CA 1.426 -1.629 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.081 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.538 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.94 -48.06 32.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.877 1.271 . . . . 0.0 112.063 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -48.01 63.27 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.427 0.691 . . . . 0.0 111.506 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.28 -41.37 70.1 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 124.029 0.932 . . . . 0.0 109.77 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.04 -30.6 11.11 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.163 1.385 . . . . 0.0 112.441 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -46.8 -26.34 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.928 0.891 . . . . 0.0 112.371 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -84.47 -25.3 29.0 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.901 1.281 . . . . 0.0 112.386 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.96 -35.41 14.72 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 111.056 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 pt -52.98 142.3 5.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -46.56 1.15 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.92 -53.69 4.48 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.361 1.58 . . . . 0.0 107.935 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.07 -14.43 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.84 163.21 13.41 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.752 0.692 . . . . 0.0 111.979 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.89 62.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.575 1.15 . . . . 0.0 112.439 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -83.4 -3.67 57.76 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.095 0.958 . . . . 0.0 112.92 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.32 58.15 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.238 -0.757 . . . . 0.0 113.808 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -95.91 -17.57 20.96 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -78.7 45.4 0.59 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.656 1.571 . . . . 0.0 113.205 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.62 -113.04 0.75 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.49 -159.32 0.62 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 128.385 2.674 . . . . 0.0 104.803 170.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -81.44 65.24 6.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.617 1.099 . . . . 0.0 108.779 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.85 170.06 18.1 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.8 m -71.98 65.4 0.55 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.069 0.948 . . . . 0.0 111.3 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.92 154.62 17.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.792 1.237 . . . . 0.0 109.588 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.26 115.16 12.08 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 144.34 97.25 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 CA-C-N 119.93 1.011 . . . . 0.0 109.639 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -51.4 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 tptp 39.12 -96.91 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.822 1.649 . . . . 0.0 108.796 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.02 59.14 0.44 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -41.35 -53.91 3.17 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.072 1.415 . . . . 0.0 109.823 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.07 132.45 1.34 Allowed Glycine 0 CA--C 1.524 0.655 0 CA-C-N 112.19 -2.277 . . . . 0.0 108.888 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -44.81 9.84 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 119.767 1.783 . . . . 0.0 113.438 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.47 -48.91 77.53 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 118.786 0.721 . . . . 0.0 110.0 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -60.16 3.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.108 1.763 . . . . 0.0 108.809 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.23 -46.73 82.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.549 1.54 . . . . 0.0 110.418 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.87 -52.21 66.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.38 -50.69 72.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -60.51 -50.75 72.33 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.794 0.838 . . . . 0.0 111.367 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -63.71 -40.16 96.09 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.026 -0.421 . . . . 0.0 110.052 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -59.96 -44.5 94.4 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.79 -53.33 22.25 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 125.937 1.732 . . . . 0.0 109.559 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.88 -49.45 76.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.884 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.07 61.49 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.146 0.578 . . . . 0.0 111.784 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.96 -38.46 86.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.424 0.69 . . . . 0.0 110.813 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.88 2.33 36.61 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.536 1.065 . . . . 0.0 111.384 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.95 89.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.218 1.009 . . . . 0.0 109.077 176.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -106.74 142.3 36.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -161.81 35.58 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 119.153 0.888 . . . . 0.0 111.442 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.32 -169.6 38.46 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 106.447 -2.661 . . . . 0.0 106.447 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.4 -76.59 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.986 0.893 . . . . 0.0 111.455 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -53.0 -38.54 62.4 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.368 0.604 . . . . 0.0 111.535 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -50.42 -31.27 14.53 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.954 1.301 . . . . 0.0 111.21 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.54 -41.03 6.14 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.07 -52.04 65.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.519 0.676 . . . . 0.0 109.994 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.406 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.0 ttp -57.27 -50.56 72.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.607 1.163 . . . . 0.0 108.63 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -48.73 -55.61 10.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.777 1.231 . . . . 0.0 109.747 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -43.38 90.61 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.331 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.42 -59.66 5.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.201 0.455 . . . . 0.0 110.865 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 57' ' ' MET . 21.3 m -62.58 -30.16 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.617 -0.677 . . . . 0.0 111.877 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.98 -25.82 58.93 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.13 0.877 . . . . 0.0 111.237 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -19.29 62.76 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.666 0.666 . . . . 0.0 111.832 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.08 132.74 35.38 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.85 1.26 . . . . 0.0 111.469 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -79.63 167.89 20.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -46.11 -45.17 16.23 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -57.33 -48.74 78.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 C-N-CA 124.621 1.168 . . . . 0.0 110.255 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.91 -45.66 81.14 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.255 1.822 . . . . 0.0 110.479 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.5 -52.99 51.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -60.83 -41.67 96.23 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.811 -0.556 . . . . 0.0 110.297 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.42 75.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -52.9 63.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 119.216 0.916 . . . . 0.0 108.738 177.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.07 74.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.656 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.15 -53.92 46.72 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.134 0.574 . . . . 0.0 111.45 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.16 -59.92 3.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.6 mtm -57.53 -46.65 83.61 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.453 1.101 . . . . 0.0 111.537 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -73.93 30.73 0.08 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 120.03 -1.669 . . . . 0.0 113.205 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -153.64 34.66 0.45 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.433 -1.316 0 C-N-CA 126.616 1.966 . . . . 0.0 107.51 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 CA-C-O 120.012 -0.326 . . . . 0.0 113.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -37.7 -55.22 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 113.545 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.02 -37.32 52.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.408 1.083 . . . . 0.0 112.05 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.69 -52.88 6.71 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 108.397 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.57 -43.09 7.83 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 125.661 1.584 . . . . 0.0 112.947 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -47.05 -30.27 2.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -46.18 37.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.807 0.813 . . . . 0.0 110.233 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -58.56 -31.29 67.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.1 1.76 . . . . 0.0 109.984 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.7 mt -43.75 -37.3 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.278 0 C-N-CA 124.429 1.092 . . . . 0.0 110.949 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.05 -38.79 6.24 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.342 0.496 . . . . 0.0 112.519 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.0 m -106.89 -36.98 6.49 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -87.05 -16.61 35.12 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.5 174.64 46.46 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.394 -1.883 . . . . 0.0 108.394 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 46.13 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.186 -1.185 . . . . 0.0 112.477 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 179.93 -47.13 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.062 1.345 . . . . 0.0 112.356 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.35 53.54 0.21 Allowed Glycine 0 C--N 1.335 0.479 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.0 p -110.88 -57.7 2.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.173 1.389 . . . . 0.0 114.139 -172.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -66.71 31.66 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -167.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.57 21.93 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.569 2.348 . . . . 0.0 117.261 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 33.88 -123.67 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.0 1.72 . . . . 0.0 113.269 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.37 79.68 0.25 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.544 0.688 . . . . 0.0 111.825 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.08 -55.53 3.14 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.814 1.197 . . . . 0.0 115.669 171.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -151.13 46.3 0.83 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 118.997 1.398 . . . . 0.0 113.541 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.83 141.54 49.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.779 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -60.81 130.46 90.79 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.28 140.13 62.68 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 121.045 1.163 . . . . 0.0 111.456 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -82.7 -32.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.567 1.147 . . . . 0.0 110.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -37.95 99.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.758 1.623 . . . . 0.0 111.66 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.74 44.43 60.56 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 117.537 -1.702 . . . . 0.0 115.585 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.06 -57.37 10.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 121.103 2.451 . . . . 0.0 110.325 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.44 150.68 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 127.148 2.308 . . . . 0.0 109.376 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.87 88.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.677 1.738 . . . . 0.0 111.176 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -59.69 -58.06 10.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.38 -62.31 1.56 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 126.618 1.967 . . . . 0.0 109.319 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.9 mt -53.11 -62.21 1.8 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.714 0.806 . . . . 0.0 109.62 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.04 -51.97 12.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 119.616 1.098 . . . . 0.0 112.042 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -57.0 -46.89 81.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.678 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -61.25 -56.23 22.96 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.131 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.16 70.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 120.518 1.508 . . . . 0.0 110.576 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -61.26 -46.78 88.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.279 0.491 . . . . 0.0 110.687 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.8 -49.76 64.55 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.278 0.942 . . . . 0.0 111.122 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -60.82 -53.91 51.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.485 0.714 . . . . 0.0 109.63 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.77 72.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.964 0.506 . . . . 0.0 111.32 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.95 -36.73 85.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.948 0.899 . . . . 0.0 110.249 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.82 18.17 28.27 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.407 1.003 . . . . 0.0 111.735 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -89.4 -63.52 1.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -76.77 67.37 2.83 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.343 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.52 -145.18 5.81 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.267 0.937 . . . . 0.0 110.795 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.85 -145.91 13.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -87.79 0.05 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.326 1.05 . . . . 0.0 111.899 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -51.65 -32.79 30.81 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 119.645 1.112 . . . . 0.0 110.943 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -46.48 -25.83 0.75 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.141 2.576 . . . . 0.0 112.762 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.38 -40.67 50.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.817 -0.552 . . . . 0.0 110.731 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.9 -52.77 63.99 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.2 mmm -52.87 -52.0 59.03 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.107 1.363 . . . . 0.0 110.151 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 m -48.54 -57.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.437 1.495 . . . . 0.0 108.961 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -41.5 93.77 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -54.78 43.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.876 0.307 . . . . 0.0 110.479 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.24 -33.46 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.446 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -29.79 39.31 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.945 0.793 . . . . 0.0 111.579 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -68.17 -19.98 64.84 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.2 27.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.071 1.348 . . . . 0.0 110.549 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -89.7 171.91 9.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.536 1.134 . . . . 0.0 109.825 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -50.28 -47.68 55.33 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.249 -0.907 . . . . 0.0 112.641 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.45 -54.7 24.26 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-O 122.037 0.922 . . . . 0.0 109.872 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.51 -47.48 85.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.728 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -57.29 -48.48 78.8 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.726 1.21 . . . . 0.0 109.723 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -58.19 -47.74 82.49 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.15 86.35 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.0 -50.6 71.41 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.18 -57.24 11.16 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.222 0.326 . . . . 0.0 110.796 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.55 -47.48 63.4 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.676 0.39 . . . . 0.0 111.378 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.57 -57.8 11.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.372 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.3 mtm -59.4 -26.99 65.61 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.857 0.863 . . . . 0.0 112.952 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -66.01 -19.97 66.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.623 0.647 . . . . 0.0 112.565 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -118.04 48.49 1.39 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 19.0 tp . . . . . 0 N--CA 1.43 -1.426 0 CA-C-O 116.375 -1.774 . . . . 0.0 108.939 -170.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.32 -51.4 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.43 1.492 . . . . 0.0 112.392 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.1 89.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.885 0.474 . . . . 0.0 112.252 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.45 -49.77 51.82 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 123.535 0.734 . . . . 0.0 109.666 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -46.25 -38.99 9.23 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -44.43 -37.3 3.33 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 111.922 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.75 34.35 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.024 0.916 . . . . 0.0 110.218 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -57.27 -38.3 73.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.15 2.18 . . . . 0.0 110.467 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -47.16 -34.49 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.058 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.3 -36.72 10.85 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.256 0.455 . . . . 0.0 112.4 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.19 -38.4 6.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.564 0.746 . . . . 0.0 110.831 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -79.51 -21.68 44.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.65 46.7 73.77 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.266 0.936 . . . . 0.0 114.49 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.67 -70.19 0.08 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.252 1.421 . . . . 0.0 112.324 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.36 31.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.264 1.026 . . . . 0.0 112.303 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 29.2 47.24 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.601 2.525 . . . . 0.0 116.169 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -135.78 -18.7 1.62 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.91 150.54 47.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.78 1.173 . . . . 0.0 109.729 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 125.92 25.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.31 -131.11 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.29 69.7 1.61 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.01 30.48 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 p -66.11 111.86 3.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.32 1.048 . . . . 0.0 109.498 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.39 130.24 47.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.864 1.265 . . . . 0.0 108.62 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 110.04 1.09 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.604 1.561 . . . . 0.0 109.389 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.68 113.77 1.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.12 2.547 . . . . 0.0 114.678 -175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -45.8 -43.35 4.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 125.335 1.454 . . . . 0.0 110.654 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -29.88 87.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.29 2.636 . . . . 0.0 111.353 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.11 52.84 9.71 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.952 1.263 . . . . 0.0 115.895 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -53.29 -50.57 64.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 123.631 1.682 . . . . 0.0 108.041 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.46 153.16 6.02 Favored Glycine 0 C--O 1.227 -0.291 1 C-N-CA 131.406 4.336 . . . . 0.0 106.239 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.55 98.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.813 0.806 . . . . 0.0 110.822 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.83 -54.94 40.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.279 0.632 . . . . 0.0 109.887 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.42 -56.75 12.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 125.918 1.687 . . . . 0.0 109.679 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.41 -65.45 0.56 Allowed 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -42.9 -49.94 5.83 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.184 0.994 . . . . 0.0 112.409 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -53.34 -47.94 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.756 0.253 . . . . 0.0 110.82 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.62 -47.64 53.21 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 117.492 -1.242 . . . . 0.0 112.104 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 121.316 1.871 . . . . 0.0 110.152 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.2 -47.84 72.6 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.92 -51.92 42.55 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.341 0.972 . . . . 0.0 111.085 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -58.73 -55.58 33.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 109.456 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.55 75.41 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.513 -0.742 . . . . 0.0 111.976 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.11 -39.13 86.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.273 1.029 . . . . 0.0 109.676 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.25 30.39 8.26 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.416 1.008 . . . . 0.0 110.954 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -100.62 -71.4 0.71 Allowed 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.74 134.66 53.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 174.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.32 -172.55 44.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.07 162.24 26.12 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 107.319 -2.312 . . . . 0.0 107.319 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -49.04 -55.8 10.96 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.426 1.113 . . . . 0.0 111.598 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -57.19 -23.46 47.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -89.74 -1.78 58.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.837 1.255 . . . . 0.0 111.464 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.93 58.89 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.688 1.131 . . . . 0.0 113.46 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -55.72 -56.18 23.56 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.308 0.575 . . . . 0.0 109.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.2 ttp -52.12 -47.4 65.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.39 1.076 . . . . 0.0 110.171 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.4 m -54.16 -52.79 60.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.046 0.938 . . . . 0.0 109.03 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -40.85 90.23 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 122.124 -0.36 . . . . 0.0 110.417 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -56.3 23.96 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.115 0.416 . . . . 0.0 110.15 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.03 -30.55 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.698 -0.626 . . . . 0.0 111.6 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -31.3 62.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.005 0.82 . . . . 0.0 109.991 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -79.45 -11.71 59.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.208 0.603 . . . . 0.0 112.359 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.64 143.2 26.63 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.748 1.219 . . . . 0.0 110.363 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -87.62 171.44 10.47 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.31 -41.24 65.45 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 0.0 112.486 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -59.9 -52.55 64.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.668 1.187 . . . . 0.0 109.668 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.82 -50.36 72.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.737 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -56.26 -52.79 63.18 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 124.704 1.201 . . . . 0.0 111.534 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -56.7 -45.52 81.77 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 118.351 0.523 . . . . 0.0 110.393 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.83 74.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.72 -48.22 69.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.96 -55.65 25.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.09 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -53.49 -45.74 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.04 0.536 . . . . 0.0 111.039 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -56.46 -59.62 4.71 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.62 -26.7 67.21 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.515 0.726 . . . . 0.0 112.945 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 p -68.02 -18.93 64.85 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.258 -0.902 . . . . 0.0 112.481 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -106.74 41.87 1.38 Allowed 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.312 0.645 . . . . 0.0 110.971 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.426 -1.641 0 C-N-CA 126.335 1.854 . . . . 0.0 106.032 177.753 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.881 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.56 -51.47 15.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.937 0.895 . . . . 0.0 112.685 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.95 88.97 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.112 -0.368 . . . . 0.0 111.739 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.92 -44.02 94.17 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.776 1.23 . . . . 0.0 110.255 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -51.58 -43.73 62.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -30.24 -64.6 0.12 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 126.551 1.94 . . . . 0.0 113.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -53.1 -37.09 61.43 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -61.99 -24.63 67.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.347 1.459 . . . . 0.0 111.104 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -49.09 -34.16 6.44 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 123.475 0.71 . . . . 0.0 109.563 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.54 -36.88 6.32 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.018 0.818 . . . . 0.0 113.076 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.4 m -113.01 -31.4 6.69 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.094 0.947 . . . . 0.0 111.475 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.84 -19.71 17.97 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.73 165.09 34.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.69 -61.77 2.0 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 123.808 0.843 . . . . 0.0 111.063 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -90.4 36.93 0.89 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.915 0.886 . . . . 0.0 112.032 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.71 36.99 1.83 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.47 1.986 . . . . 0.0 114.175 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -83.29 -41.41 18.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.789 1.636 . . . . 0.0 113.508 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -64.78 131.16 46.05 Favored 'General case' 0 N--CA 1.421 -1.886 0 C-N-CA 123.841 0.857 . . . . 0.0 110.707 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.5 41.21 0.25 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.154 1.382 . . . . 0.0 111.555 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 44.46 -142.34 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.138 1.775 . . . . 0.0 111.765 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.1 mmt -115.47 43.04 2.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.62 1.168 . . . . 0.0 108.38 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.3 44.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.001 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 48.79 45.0 22.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.839 0.855 . . . . 0.0 112.221 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.06 146.66 54.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.863 0.465 . . . . 0.0 110.751 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 132.51 95.05 Favored Pre-proline 0 C--O 1.234 0.269 0 N-CA-C 102.913 -2.995 . . . . 0.0 102.913 170.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -57.57 139.12 89.2 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 N-CA-C 108.977 -1.201 . . . . 0.0 108.977 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -62.62 -43.73 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -27.8 89.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 128.28 2.632 . . . . 0.0 112.194 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.75 41.78 5.88 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.547 -1.14 . . . . 0.0 115.84 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.313 5.5 pt20 -58.6 -36.24 73.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.432 1.616 . . . . 0.0 110.531 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.18 135.55 2.26 Favored Glycine 0 C--O 1.218 -0.903 0 C-N-CA 126.203 1.859 . . . . 0.0 111.586 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.98 -36.61 50.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.573 2.187 . . . . 0.0 112.362 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.28 -55.63 23.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -49.14 -61.03 2.29 Favored 'General case' 0 N--CA 1.458 -0.031 0 C-N-CA 125.898 1.679 . . . . 0.0 108.857 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.69 -50.02 66.77 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.314 2.246 . . . . 0.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.21 -47.52 85.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.482 1.037 . . . . 0.0 110.837 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -60.44 -52.78 63.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.657 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.0 -41.98 81.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.8 0.84 . . . . 0.0 110.905 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -67.16 -42.24 84.65 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.673 0.67 . . . . 0.0 109.799 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -40.46 97.67 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' A' ' 49' ' ' TYR . . . -43.48 -63.69 2.06 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 127.533 2.492 . . . . 0.0 110.178 172.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -60.29 -49.92 75.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.875 -1.163 . . . . 0.0 110.256 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.31 72.77 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.38 0.672 . . . . 0.0 112.074 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.56 -45.15 60.64 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.72 34.93 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.147 0.879 . . . . 0.0 111.866 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 p -68.3 -60.99 2.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.434 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 43.7 t80 -76.35 74.31 3.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.93 -177.36 42.17 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.74 162.46 9.27 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.711 1.148 . . . . 0.0 110.912 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 42.3 -118.41 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.301 1.84 . . . . 0.0 111.116 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.24 -32.83 68.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 124.092 0.957 . . . . 0.0 111.873 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -73.48 -13.03 60.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.0 0.92 . . . . 0.0 110.927 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.0 80.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.232 0.469 . . . . 0.0 111.493 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.6 mtm -58.07 -56.13 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.354 0.662 . . . . 0.0 109.459 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.452 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.3 ttp -52.78 -51.54 60.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.712 1.205 . . . . 0.0 109.077 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -47.97 -57.65 5.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.248 1.019 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -37.74 87.48 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.812 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.16 2.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.518 0.599 . . . . 0.0 110.407 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 57' ' ' MET . 13.8 m -63.56 -28.49 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.787 -0.571 . . . . 0.0 112.054 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.48 -29.01 14.92 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.284 0.947 . . . . 0.0 112.169 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -63.59 -30.31 71.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.832 0.742 . . . . 0.0 111.89 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.54 128.98 36.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.849 1.26 . . . . 0.0 111.363 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -86.3 175.77 8.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -47.44 -44.58 25.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.54 -51.36 69.77 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.913 0.863 . . . . 0.0 110.32 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.03 -52.02 67.57 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 126.528 1.931 . . . . 0.0 109.866 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.97 -55.13 29.99 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.58 0.752 . . . . 0.0 109.869 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.46 -49.85 69.12 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.955 0.902 . . . . 0.0 109.714 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.08 74.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.973 -0.537 . . . . 0.0 112.35 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.31 -46.3 70.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.75 -52.28 64.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.61 -49.98 66.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.393 0.277 . . . . 0.0 110.947 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.86 -59.78 4.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 110.201 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.5 mtm -54.11 -29.29 44.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 112.43 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -74.29 -1.82 22.36 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.696 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.56 50.12 1.88 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.253 1.285 0 CA-C-O 115.821 -2.038 . . . . 0.0 106.11 -171.577 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -54.72 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.116 1.366 . . . . 0.0 111.758 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.14 75.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 122.393 0.277 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.79 -43.42 88.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.398 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.49 -30.64 42.18 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.27 -34.56 57.73 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.901 -0.499 . . . . 0.0 111.423 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -82.32 6.27 17.51 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.606 0.762 . . . . 0.0 113.002 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -120.51 -37.32 3.04 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.946 1.698 . . . . 0.0 109.173 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.52 151.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.435 1.094 . . . . 0.0 108.19 172.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.7 -51.61 3.59 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.505 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.4 t -76.26 -46.84 26.12 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.845 1.822 . . . . 0.0 107.116 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.544 ' CE1' HG21 ' A' ' 29' ' ' VAL . 57.2 m-70 -76.42 -21.75 55.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.363 1.465 . . . . 0.0 112.006 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.64 -128.15 9.48 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 106.727 -2.549 . . . . 0.0 106.727 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.97 -70.15 0.83 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -84.71 49.91 1.8 Allowed 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 125.005 1.322 . . . . 0.0 110.981 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 28.8 47.88 0.08 OUTLIER Glycine 0 CA--C 1.532 1.151 0 C-N-CA 128.092 2.758 . . . . 0.0 116.296 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -107.6 -18.98 13.7 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.02 121.45 14.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 120.035 1.289 . . . . 0.0 110.929 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.24 41.93 0.55 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.89 0.876 . . . . 0.0 109.604 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.12 -114.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 131.212 3.805 . . . . 0.0 118.295 -170.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.7 mtm -61.69 91.99 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.86 59.28 4.82 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.895 1.236 . . . . 0.0 114.801 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m 58.9 55.6 4.47 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.125 0.97 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 146.3 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.643 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -63.72 143.51 98.02 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.14 146.3 86.53 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 N-CA-C 108.34 -1.446 . . . . 0.0 108.34 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' A' ' 14' ' ' HIS . 12.3 t -93.41 -29.29 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.459 0.703 . . . . 0.0 110.932 -174.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -36.45 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.309 1.844 . . . . 0.0 111.432 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.4 47.16 51.63 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.115 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -53.5 -50.55 65.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.875 2.337 . . . . 0.0 108.956 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.09 155.15 7.01 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 128.701 3.048 . . . . 0.0 109.202 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.11 99.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.062 0.931 . . . . 0.0 111.972 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.73 -53.2 57.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -50.51 -61.51 2.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 125.825 1.65 . . . . 0.0 109.002 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -52.64 -61.51 2.24 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.149 0.98 . . . . 0.0 109.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -44.07 -52.65 6.99 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.168 0.895 . . . . 0.0 111.74 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.06 -46.65 85.05 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.94 0.15 . . . . 0.0 110.793 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.23 -57.26 13.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.506 0.722 . . . . 0.0 111.542 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.31 86.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.156 1.344 . . . . 0.0 111.202 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -60.85 -46.74 89.4 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.31 77.11 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.277 0.942 . . . . 0.0 111.127 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.38 -53.72 53.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.24 77.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.755 0.822 . . . . 0.0 111.787 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -61.71 -36.56 81.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.907 0.883 . . . . 0.0 109.719 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.48 29.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 p -93.33 -65.4 1.0 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -74.94 71.28 2.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.81 170.11 41.1 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.47 160.81 11.13 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 108.538 -1.825 . . . . 0.0 108.538 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 34.06 -114.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.647 1.979 . . . . 0.0 112.684 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -53.69 -31.58 48.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.545 1.538 . . . . 0.0 112.984 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -78.55 -6.65 56.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.474 0.71 . . . . 0.0 111.873 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.34 -41.77 66.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.854 0.752 . . . . 0.0 111.078 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.1 -47.9 83.56 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.33 0.652 . . . . 0.0 109.733 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' HG22 ' A' ' 61' ' ' VAL . 1.4 mtm -58.53 -52.61 64.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -47.47 -56.13 7.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.042 0.537 . . . . 0.0 109.685 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -47.97 78.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.767 0.712 . . . . 0.0 110.778 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.27 -60.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.919 0.327 . . . . 0.0 111.074 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 57' ' ' MET . 8.6 m -70.91 -23.42 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.752 -0.593 . . . . 0.0 112.415 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -59.4 -29.84 68.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.04 1.291 . . . . 0.0 109.928 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -73.41 -12.4 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.28 -168.2 2.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.454 1.502 . . . . 0.0 109.214 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.0 m -157.31 176.96 12.0 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.897 1.679 . . . . 0.0 108.254 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -44.03 -53.26 6.45 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -173.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.08 -54.68 14.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.557 1.143 . . . . 0.0 110.521 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.7 -51.59 68.74 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.996 -1.457 . . . . 0.0 110.268 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.47 -49.82 73.54 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.953 1.301 . . . . 0.0 111.14 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -58.62 -50.5 73.59 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.72 78.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.93 -51.6 67.47 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.23 -54.77 39.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.724 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -50.4 -43.99 54.83 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.21 0.604 . . . . 0.0 111.223 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -57.69 -60.78 3.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.401 0.619 . . . . 0.0 109.889 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.7 mtm -59.61 -24.56 63.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.137 0.975 . . . . 0.0 113.334 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.0 m -67.54 -17.64 64.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 123.813 0.845 . . . . 0.0 112.719 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -131.64 64.32 1.59 Allowed 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 26.5 tp . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 116.462 -1.733 . . . . 0.0 107.814 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.52 98.93 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.767 0.784 . . . . 0.0 112.594 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.06 57.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -49.8 -48.5 50.65 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 125.325 1.45 . . . . 0.0 111.636 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -47.31 -31.8 4.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.376 1.07 . . . . 0.0 113.747 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -48.49 -39.72 24.06 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.959 0.345 . . . . 0.0 110.923 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -62.91 -22.66 66.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.98 -23.86 22.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.818 1.247 . . . . 0.0 111.36 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.61 141.59 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.01 -42.44 1.9 Allowed Glycine 0 CA--C 1.521 0.468 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -96.76 -40.99 8.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.628 1.214 . . . . 0.0 108.65 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -105.56 -27.96 11.06 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.57 -159.1 20.39 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.63 -47.0 28.34 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.25 1.025 . . . . 0.0 112.757 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -85.44 -65.06 1.05 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.208 0.603 . . . . 0.0 109.91 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.64 41.79 0.03 OUTLIER Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.964 1.745 . . . . 0.0 109.851 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 p -101.53 -38.91 7.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -172.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -58.96 134.73 57.22 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 124.139 0.976 . . . . 0.0 113.195 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 115.11 7.93 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.66 -122.82 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.938 0.895 . . . . 0.0 110.445 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.1 83.42 0.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.67 -167.35 38.57 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -69.34 57.81 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.152 1.781 . . . . 0.0 113.406 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 137.24 57.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 110.048 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.32 119.61 29.18 Favored Pre-proline 0 N--CA 1.435 -1.185 0 C-N-CA 124.528 1.131 . . . . 0.0 108.063 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.23 136.84 55.1 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.888 1.725 . . . . 0.0 110.197 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -85.1 -35.05 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.935 0.894 . . . . 0.0 109.585 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.56 113.42 0.64 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.451 1.1 . . . . 0.0 108.744 176.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.0 77.99 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 116.941 -2.033 . . . . 0.0 117.596 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.51 -48.11 82.91 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.176 2.988 . . . . 0.0 108.154 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 143.19 4.27 Favored Glycine 0 C--O 1.219 -0.786 0 C-N-CA 128.886 3.136 . . . . 0.0 109.988 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.76 -48.25 15.41 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.181 1.392 . . . . 0.0 114.654 -177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.32 73.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.731 0.696 . . . . 0.0 109.899 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.22 2.21 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.058 1.743 . . . . 0.0 107.904 177.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.0 mt -53.31 -63.42 1.15 Allowed 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.585 1.954 . . . . 0.0 109.221 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -41.69 -53.0 3.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.5 0.72 . . . . 0.0 110.956 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -59.17 -44.36 92.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.09 -44.73 71.91 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.154 -0.926 . . . . 0.0 112.433 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -41.51 90.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 121.251 1.841 . . . . 0.0 108.75 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -55.73 -44.43 77.52 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.46 ' CA ' ' HB3' ' A' ' 49' ' ' TYR . . . -43.66 -67.05 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 128.789 3.09 . . . . 0.0 110.71 173.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.46 -49.17 78.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.909 -1.145 . . . . 0.0 110.43 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.92 74.51 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.569 0.747 . . . . 0.0 111.747 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.06 -42.41 66.29 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.04 -15.09 40.28 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.983 0.801 . . . . 0.0 111.267 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -61.27 -61.13 2.77 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' HB3' ' CA ' ' A' ' 43' ' ' GLY . 55.0 t80 -76.58 72.22 3.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.73 179.97 30.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.03 162.39 35.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 106.996 -2.441 . . . . 0.0 106.996 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -43.75 -55.18 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.106 0.953 . . . . 0.0 113.5 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -59.86 -26.92 66.23 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -92.26 -1.96 56.76 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.156 1.383 . . . . 0.0 111.069 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.56 -44.87 66.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.991 0.814 . . . . 0.0 112.11 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 ptp -59.21 -46.07 89.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.687 0.395 . . . . 0.0 110.934 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.5 ttp -61.3 -50.25 73.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -46.68 -53.11 12.35 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.701 0.8 . . . . 0.0 109.618 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -43.31 99.1 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.178 0.899 . . . . 0.0 110.765 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.113 0.415 . . . . 0.0 110.618 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.2 m -78.71 -21.38 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.49 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -53.97 -35.51 61.87 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.079 1.308 . . . . 0.0 109.76 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -63.83 -22.16 66.78 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.696 0.798 . . . . 0.0 112.244 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.72 121.15 27.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.127 1.371 . . . . 0.0 111.127 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -82.75 -176.98 6.56 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.93 -49.57 62.86 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.51 -52.78 60.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.975 0.893 . . . . 0.0 109.302 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.5 -51.07 69.89 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.305 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 mt -57.19 -51.02 71.0 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.373 0.669 . . . . 0.0 110.496 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -57.56 -44.21 85.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.16 87.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.29 -0.256 . . . . 0.0 111.641 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.4 -49.64 77.02 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.9 53.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.938 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -48.67 -51.74 26.85 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.84 0.856 . . . . 0.0 111.279 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -49.8 -63.48 1.1 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.675 0.79 . . . . 0.0 110.211 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.3 mtm -61.82 -24.35 66.82 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -79.82 1.36 27.2 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.961 -1.018 . . . . 0.0 112.631 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -135.42 48.6 2.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -174.135 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.55 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.151 1.781 . . . . 0.0 113.184 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.9 71.94 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 118.539 0.609 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -41.05 -42.0 1.83 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.584 1.554 . . . . 0.0 113.839 -176.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -48.57 -39.5 23.88 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.918 1.287 . . . . 0.0 111.636 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -65.79 -22.65 66.59 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.319 1.048 . . . . 0.0 113.112 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -87.21 -24.78 24.31 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.525 1.53 . . . . 0.0 111.155 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.65 146.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 -47.95 1.33 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.0 -44.69 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.974 1.387 . . . . 0.0 107.419 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -93.5 -32.32 14.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.71 -172.28 14.48 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -69.44 0.28 Allowed 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -69.61 -48.96 58.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.892 0.877 . . . . 0.0 109.302 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.81 48.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 C-N-CA 126.478 1.99 . . . . 0.0 109.97 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -98.2 -27.37 14.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.761 2.024 . . . . 0.0 115.181 -173.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -80.5 144.02 32.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 119.834 1.197 . . . . 0.0 111.203 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.8 90.61 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.525 0.73 . . . . 0.0 110.375 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.64 143.78 3.62 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.303 0.641 . . . . 0.0 110.065 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.0 mtp 47.13 35.72 3.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.391 1.076 . . . . 0.0 111.413 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.52 34.33 27.15 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.976 1.274 . . . . 0.0 113.171 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -163.73 -28.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.51 143.55 40.28 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.69 142.84 98.05 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -66.06 150.24 85.42 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -92.48 -33.07 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 122.971 0.509 . . . . 0.0 111.363 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 113.65 0.86 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.63 33.73 83.39 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.057 -1.968 . . . . 0.0 116.64 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.88 -55.38 35.86 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 122.048 2.924 . . . . 0.0 107.828 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.35 142.47 3.41 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 111.983 -2.371 . . . . 0.0 109.535 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.3 76.69 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 119.344 1.572 . . . . 0.0 112.138 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -49.67 72.22 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -50.27 -61.05 2.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.366 1.066 . . . . 0.0 108.905 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.57 -60.06 3.8 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.398 1.079 . . . . 0.0 109.393 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -43.75 -57.53 3.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 119.566 1.076 . . . . 0.0 111.231 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.65 -49.27 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.317 -1.311 . . . . 0.0 110.711 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.39 -55.61 26.22 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.08 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -41.26 80.23 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 120.361 1.437 . . . . 0.0 110.668 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -62.71 -47.86 81.76 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.64 34.66 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.78 1.657 . . . . 0.0 110.664 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.1 -59.02 6.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.742 0.817 . . . . 0.0 109.164 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.62 55.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.104 0.561 . . . . 0.0 112.096 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.53 -39.07 85.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.628 0.771 . . . . 0.0 110.916 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.9 12.71 27.22 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.679 1.133 . . . . 0.0 111.647 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -41.6 26.19 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -96.34 151.57 19.4 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.81 -164.14 31.13 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.38 112.11 1.15 Allowed Glycine 0 CA--C 1.531 1.066 0 CA-C-N 117.76 0.78 . . . . 0.0 112.105 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 46.95 -107.2 0.16 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.797 1.639 . . . . 0.0 111.359 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -52.15 -35.41 48.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.969 1.707 . . . . 0.0 111.791 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -67.84 -5.52 17.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.974 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.83 98.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.926 0.784 . . . . 0.0 110.454 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -62.22 -53.11 59.92 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 tpt -48.68 -52.69 22.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.077 1.751 . . . . 0.0 109.289 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 m -53.32 -54.88 30.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.284 1.034 . . . . 0.0 110.043 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -40.65 76.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.635 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.47 8.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.01 0.368 . . . . 0.0 110.518 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -66.28 -32.58 58.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 121.874 -0.516 . . . . 0.0 112.336 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -54.9 -24.19 22.34 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.79 0.836 . . . . 0.0 112.436 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.19 -17.8 61.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.79 0.723 . . . . 0.0 112.092 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.7 179.07 6.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.836 1.254 . . . . 0.0 111.099 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 t -127.0 162.94 24.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 110.074 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -42.98 -49.87 5.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.095 1.358 . . . . 0.0 113.964 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -55.86 -44.36 77.99 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.836 0.854 . . . . 0.0 111.057 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.41 -54.19 46.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.67 -50.17 55.46 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.238 1.015 . . . . 0.0 112.233 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -50.6 70.44 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.352 0.596 . . . . 0.0 109.689 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.43 75.1 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.287 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp -65.68 -49.88 66.97 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.77 -54.04 47.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.556 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.68 -51.73 62.28 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.372 -0.205 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -54.16 -57.01 12.75 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.321 1.048 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.11 -26.91 69.04 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.805 -0.559 . . . . 0.0 112.101 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -76.87 6.06 6.79 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.186 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -134.07 43.54 2.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 -174.109 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 CA-C-O 121.668 0.594 . . . . 0.0 114.255 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.07 -57.98 9.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.431 1.492 . . . . 0.0 114.111 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.62 63.9 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.16 0.584 . . . . 0.0 111.774 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.95 -56.72 4.6 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -48.1 -41.24 25.78 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.616 1.166 . . . . 0.0 113.8 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.6 -32.24 12.37 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.778 0.717 . . . . 0.0 112.522 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -44.73 53.87 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 122.758 1.266 . . . . 0.0 110.166 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -33.36 69.44 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 129.342 3.057 . . . . 0.0 110.938 -175.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -46.03 -35.87 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.78 0.832 . . . . 0.0 109.332 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.47 -39.28 10.01 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.882 -0.954 . . . . 0.0 113.028 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 m -116.87 -12.14 10.79 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.714 1.257 . . . . 0.0 112.555 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -121.49 -5.79 9.27 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.04 -160.47 38.6 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 121.162 -0.961 . . . . 0.0 111.576 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.79 -55.5 5.43 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -80.49 45.57 0.78 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.194 1.397 . . . . 0.0 113.097 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 25.83 53.54 0.06 OUTLIER Glycine 0 CA--C 1.533 1.178 0 C-N-CA 127.947 2.689 . . . . 0.0 114.713 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -121.89 -109.06 0.34 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.024 0.912 . . . . 0.0 111.653 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt 41.06 110.93 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.954 3.302 . . . . 0.0 114.966 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.43 68.22 2.08 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.65 -91.45 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.373 1.469 . . . . 0.0 111.436 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 mmt -75.46 70.58 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.79 -172.28 54.83 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -64.59 69.2 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.079 1.752 . . . . 0.0 113.247 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 123.27 20.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.218 1.007 . . . . 0.0 110.288 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 131.26 63.98 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.94 93.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.709 1.606 . . . . 0.0 111.526 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 29' ' ' VAL . 2.9 t -27.9 -47.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 129.371 3.068 . . . . 0.0 113.436 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -31.47 95.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.459 2.304 . . . . 0.0 111.12 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 42.74 97.26 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 117.824 -1.542 . . . . 0.0 116.942 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.15 -50.8 68.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.096 1.948 . . . . 0.0 106.75 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 143.74 3.76 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 128.573 2.987 . . . . 0.0 108.082 173.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -42.4 76.29 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.249 2.524 . . . . 0.0 111.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.11 -57.86 11.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.155 0.502 . . . . 0.0 109.715 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.76 -57.94 7.14 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 126.025 1.73 . . . . 0.0 109.614 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.07 -61.02 2.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 108.644 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -45.8 -55.07 7.04 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.312 0.96 . . . . 0.0 112.119 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -53.35 -46.19 69.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.166 0.291 . . . . 0.0 110.881 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -67.09 -42.04 85.31 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.395 1.078 . . . . 0.0 111.404 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmt -58.68 -47.86 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 120.884 1.675 . . . . 0.0 108.62 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -58.24 -44.84 88.46 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.96 -64.77 1.59 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 127.865 2.65 . . . . 0.0 111.409 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -65.67 -51.73 57.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.66 -1.27 . . . . 0.0 109.772 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.37 65.4 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.977 -0.452 . . . . 0.0 111.761 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -93.22 20.2 7.23 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.698 0.399 . . . . 0.0 111.598 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.15 31.54 3.09 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.991 1.281 . . . . 0.0 113.562 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -99.59 -43.73 6.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.562 1.145 . . . . 0.0 108.396 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -95.06 135.33 36.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.69 42.51 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 119.999 1.272 . . . . 0.0 111.447 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.5 170.68 27.65 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.383 -2.287 . . . . 0.0 107.383 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -50.35 -55.16 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.971 0.885 . . . . 0.0 110.297 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.27 -22.02 50.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.436 1.094 . . . . 0.0 113.151 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -92.75 -24.57 18.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.078 0.951 . . . . 0.0 112.094 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.58 -58.43 0.49 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.6 ttt -54.31 -53.8 48.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.671 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -55.44 -47.91 75.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.814 0.846 . . . . 0.0 109.552 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.0 m -52.36 -53.71 41.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.034 0.934 . . . . 0.0 109.11 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.38 98.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.812 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.76 -60.07 4.42 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.086 0.403 . . . . 0.0 110.781 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.24 -31.83 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.802 -0.561 . . . . 0.0 111.081 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.12 -24.58 59.3 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.403 -0.81 . . . . 0.0 112.044 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -75.89 -7.39 54.42 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.878 0.763 . . . . 0.0 112.229 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.64 -169.32 1.68 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.863 1.265 . . . . 0.0 111.173 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -149.22 158.36 44.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.683 1.193 . . . . 0.0 107.951 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -40.46 -49.13 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -51.97 -53.64 39.04 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 122.028 0.918 . . . . 0.0 109.97 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.16 -48.5 81.28 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.221 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.5 mt -55.48 -50.87 68.77 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.487 1.115 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -58.87 -45.88 89.12 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.95 76.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 72' ' ' LEU . 4.9 tp -62.31 -50.06 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.97 -51.34 69.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.032 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.41 -52.21 47.97 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.612 0.365 . . . . 0.0 110.752 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -52.84 -62.45 1.64 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.176 0.991 . . . . 0.0 110.442 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.48 -22.66 66.42 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -87.17 11.46 13.97 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.099 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -137.98 43.78 2.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.422 -1.864 0 C-N-CA 127.459 2.304 . . . . 0.0 105.844 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.856 0 N-CA-C 107.388 -2.285 . . . . 0.0 107.388 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.63 -47.9 19.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.969 1.707 . . . . 0.0 111.949 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.96 -35.89 16.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.475 1.11 . . . . 0.0 112.914 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.44 -47.84 6.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -44.6 -43.68 8.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.805 1.242 . . . . 0.0 112.198 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -42.06 -38.77 1.75 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -79.63 -41.71 26.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.863 0.756 . . . . 0.0 110.705 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.57 -30.98 33.74 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.517 2.327 . . . . 0.0 112.031 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.02 -38.86 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.844 1.258 . . . . 0.0 110.157 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.26 -41.94 3.08 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.053 0.835 . . . . 0.0 112.773 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 m -111.42 -45.65 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.261 1.03 . . . . 0.0 110.699 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' CE1' HG21 ' A' ' 29' ' ' VAL . 98.3 m-70 -87.16 -4.04 59.09 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.67 -178.09 32.83 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 120.837 -1.165 . . . . 0.0 111.1 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -51.27 65.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -157.95 76.75 0.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.749 0.819 . . . . 0.0 108.803 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.65 -27.2 0.06 OUTLIER Glycine 0 CA--C 1.523 0.585 0 C-N-CA 119.337 -1.411 . . . . 0.0 115.942 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t 67.74 85.44 0.14 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.879 1.339 . . . . 0.0 111.081 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -57.92 163.62 2.62 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.95 72.15 1.59 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -172.1 0.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.967 1.307 . . . . 0.0 111.558 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -23.89 111.71 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.714 2.006 . . . . 0.0 113.611 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.67 77.96 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 123.697 0.665 . . . . 0.0 113.369 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m 57.73 55.1 5.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.005 0.922 . . . . 0.0 109.798 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 142.42 29.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.71 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -54.33 121.64 32.79 Favored Pre-proline 0 N--CA 1.438 -1.051 0 C-N-CA 125.652 1.581 . . . . 0.0 107.813 173.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.01 131.73 47.73 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 121.037 1.158 . . . . 0.0 111.51 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 14' ' ' HIS . 8.3 t -80.0 -32.17 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.487 1.115 . . . . 0.0 109.764 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -37.65 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.723 2.409 . . . . 0.0 109.952 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 38.38 96.3 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.32 -54.0 50.89 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.401 2.101 . . . . 0.0 107.448 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.56 145.08 4.05 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 127.98 2.705 . . . . 0.0 110.347 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.66 -44.37 37.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.067 0.947 . . . . 0.0 112.976 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -64.64 -51.75 60.96 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.524 0.602 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -51.19 -58.47 6.05 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-O 122.108 0.956 . . . . 0.0 108.68 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.4 mt -53.31 -61.54 2.23 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -43.9 -51.86 7.25 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.336 1.054 . . . . 0.0 111.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -57.23 -45.84 83.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.177 0.591 . . . . 0.0 111.081 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.36 -50.35 60.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.015 1.326 . . . . 0.0 111.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -41.74 83.07 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.713 1.597 . . . . 0.0 109.878 174.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.27 -43.27 99.15 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.36 -57.81 3.61 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 128.168 2.794 . . . . 0.0 111.404 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -66.4 -53.52 34.95 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 109.865 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.25 56.71 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.181 0.592 . . . . 0.0 111.614 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.91 10.62 4.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.998 0.919 . . . . 0.0 111.89 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.58 38.69 14.78 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 125.434 1.492 . . . . 0.0 112.21 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -125.89 -49.02 1.61 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.853 0.461 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -78.49 56.49 1.79 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.761 -0.587 . . . . 0.0 111.472 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.11 179.95 20.98 Favored Glycine 0 CA--C 1.523 0.569 0 O-C-N 121.509 -0.744 . . . . 0.0 112.76 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.45 -177.52 47.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 44.71 -100.45 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.109 1.764 . . . . 0.0 112.5 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -56.5 -28.87 60.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.65 0.78 . . . . 0.0 112.24 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -90.89 2.17 56.4 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.697 1.199 . . . . 0.0 111.777 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.08 79.64 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.718 0.69 . . . . 0.0 112.674 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -57.94 -57.62 11.99 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.714 0.769 . . . . 0.0 109.524 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.2 ttp -53.56 -49.58 67.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.513 1.525 . . . . 0.0 109.684 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.6 m -51.93 -57.77 8.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.136 0.975 . . . . 0.0 109.529 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -39.67 81.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.56 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.68 18.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.1 -27.4 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.594 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -57.48 -29.17 64.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.969 0.804 . . . . 0.0 111.05 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.56 -11.24 59.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.062 0.545 . . . . 0.0 112.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.32 -158.53 0.48 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.383 1.473 . . . . 0.0 109.783 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 m -143.97 -86.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.891 -0.506 . . . . 0.0 112.082 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -144.02 -54.36 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.828 0.451 . . . . 0.0 110.288 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -45.75 -51.92 11.86 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.896 1.679 . . . . 0.0 109.305 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -53.74 -54.4 38.65 Favored 'General case' 0 N--CA 1.426 -1.64 0 C-N-CA 128.357 2.663 . . . . 0.0 110.361 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.82 -49.01 78.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.468 0.707 . . . . 0.0 110.46 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.47 -47.3 86.05 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.35 80.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.11 -43.72 73.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.27 73.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.74 -50.36 55.68 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.379 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -47.76 -61.48 1.93 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.229 0.922 . . . . 0.0 110.266 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 mtm -65.29 -20.76 66.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.395 1.078 . . . . 0.0 113.328 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -90.47 2.5 55.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.261 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -120.69 38.71 3.95 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -175.092 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.846 0 CA-C-O 122.453 1.029 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.35 -59.42 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 110.75 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.88 50.4 1.97 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 111.241 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.45 -55.74 0.35 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 129.86 3.264 . . . . 0.0 105.812 170.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -42.25 -41.03 2.61 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 125.157 1.383 . . . . 0.0 112.191 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -37.85 -42.05 0.57 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.132 1.373 . . . . 0.0 112.856 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -70.68 -47.72 58.42 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.273 0.558 . . . . 0.0 110.829 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -57.71 -36.16 71.62 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.973 2.109 . . . . 0.0 109.8 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -48.22 -36.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 123.224 0.61 . . . . 0.0 109.939 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.66 -34.43 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.21 -0.772 . . . . 0.0 112.518 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -38.53 4.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.254 1.027 . . . . 0.0 111.741 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -83.22 -22.02 33.24 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -175.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.84 -171.98 54.71 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.221 0.608 . . . . 0.0 111.727 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -83.96 48.38 1.45 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.67 0.788 . . . . 0.0 111.236 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.79 47.77 0.49 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 127.126 2.298 . . . . 0.0 113.095 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -106.05 -13.08 15.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.973 1.709 . . . . 0.0 115.031 -170.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.98 153.17 30.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 119.249 0.931 . . . . 0.0 112.884 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.35 67.74 3.35 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 126.28 24.5 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.224 1.01 . . . . 0.0 109.366 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.3 mtp 46.47 33.91 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.675 1.19 . . . . 0.0 112.139 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.22 -133.29 11.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -62.57 97.01 0.09 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.308 1.043 . . . . 0.0 111.871 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.95 147.67 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.645 1.178 . . . . 0.0 108.727 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -60.69 122.3 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.91 91.24 0.63 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.558 1.505 . . . . 0.0 109.146 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG23 ' H ' ' A' ' 29' ' ' VAL . 9.4 t -23.4 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 C-N-CA 129.291 3.036 . . . . 0.0 113.971 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 26.63 -92.88 0.01 OUTLIER 'General case' 0 C--N 1.344 0.335 0 O-C-N 126.699 2.499 . . . . 0.0 108.871 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.52 70.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-O 118.59 -1.117 . . . . 0.0 110.44 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -44.96 -53.26 7.87 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.821 1.296 . . . . 0.0 108.783 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.09 138.14 2.36 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 129.261 3.315 . . . . 0.0 107.912 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.74 -49.42 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.151 1.381 . . . . 0.0 113.155 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -58.95 -53.13 61.84 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.196 0.998 . . . . 0.0 110.082 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -56.9 -53.85 53.21 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.799 1.239 . . . . 0.0 109.396 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 mt -54.78 -60.69 3.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.783 -1.098 . . . . 0.0 108.528 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.25 -56.94 3.76 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 124.481 1.112 . . . . 0.0 111.372 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.55 -48.69 62.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.764 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -52.76 55.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.182 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -62.08 -33.13 73.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.365 1.438 . . . . 0.0 111.215 178.575 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.45 -50.25 70.48 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.16 30.95 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.796 1.188 . . . . 0.0 110.784 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.23 -54.32 39.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.129 0.972 . . . . 0.0 110.439 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.43 77.64 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.169 0.588 . . . . 0.0 111.407 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.92 14.62 14.74 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.148 1.356 . . . . 0.0 111.402 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -44.33 24.83 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -95.6 135.39 37.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.9 -164.88 27.42 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.47 143.92 6.59 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.131 0.872 . . . . 0.0 111.641 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 47.54 -98.33 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.33 1.852 . . . . 0.0 112.391 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -61.51 -41.14 96.86 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.635 0.731 . . . . 0.0 109.578 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -80.74 77.05 7.62 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 -64.83 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.904 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 tpp -53.94 -54.18 42.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.496 0.665 . . . . 0.0 109.207 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 ttp -50.5 -53.05 32.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.486 1.114 . . . . 0.0 109.532 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -50.05 -53.52 26.38 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.419 1.088 . . . . 0.0 110.503 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -38.33 90.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.772 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.92 -56.13 26.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 109.794 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.97 -25.83 37.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.612 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.71 -25.3 62.77 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.465 1.029 . . . . 0.0 109.826 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -74.1 -23.73 59.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.365 0.53 . . . . 0.0 111.628 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 132.86 37.58 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.245 1.018 . . . . 0.0 110.921 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.09 164.81 26.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.018 1.327 . . . . 0.0 110.748 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -49.67 -47.08 50.38 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.394 -0.816 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -60.89 -46.32 91.07 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.107 0.479 . . . . 0.0 110.083 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.28 -49.18 76.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -57.98 -53.04 62.7 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -54.04 -48.59 70.37 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.375 0.607 . . . . 0.0 109.736 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.53 70.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -48.99 59.04 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.39 34.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.063 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.2 -50.33 69.65 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.606 0.362 . . . . 0.0 111.364 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.8 -57.85 9.37 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.169 0.588 . . . . 0.0 110.404 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.1 mtm -60.46 -34.11 73.53 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 121.865 -0.522 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -66.46 3.41 0.96 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.983 -1.698 . . . . 0.0 113.229 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -139.65 49.59 1.79 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.304 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -173.233 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.798 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.09 -50.11 67.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.717 0.807 . . . . 0.0 111.525 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.38 81.65 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.583 0.23 . . . . 0.0 111.044 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.16 -45.13 91.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.916 0.886 . . . . 0.0 110.81 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.83 -27.71 65.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -44.75 -54.46 6.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.652 1.181 . . . . 0.0 112.857 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -66.52 -41.29 89.02 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.147 0.975 . . . . 0.0 111.447 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.13 -38.32 76.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 128.029 2.531 . . . . 0.0 110.768 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 C-N-CA 123.769 0.827 . . . . 0.0 110.181 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.16 -35.6 26.96 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.373 -0.681 . . . . 0.0 112.951 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -109.44 -29.24 8.52 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.144 0.972 . . . . 0.0 112.341 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -95.07 -29.86 14.37 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.87 -172.41 38.68 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -75.51 0.09 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.846 -0.796 . . . . 0.0 109.138 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.18 52.8 2.28 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.294 1.438 . . . . 0.0 109.975 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 21.18 51.36 0.01 OUTLIER Glycine 0 CA--C 1.536 1.377 0 C-N-CA 129.447 3.403 . . . . 0.0 116.956 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -122.79 -17.01 6.97 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -68.81 150.41 47.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.044 1.747 . . . . 0.0 110.564 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 128.39 36.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.3 -135.86 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mtp -74.16 70.36 1.59 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.233 -0.917 . . . . 0.0 108.624 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.77 -172.75 42.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -48.87 117.28 2.0 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.415 1.486 . . . . 0.0 111.83 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.18 141.41 32.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.165 0.986 . . . . 0.0 108.373 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 120.21 47.07 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.56 140.48 65.03 Favored 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 121.384 1.389 . . . . 0.0 111.234 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 t -77.96 -28.62 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -35.58 105.27 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.473 1.509 . . . . 0.0 111.331 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.25 45.22 15.72 Favored Glycine 0 N--CA 1.437 -1.26 0 C-N-CA 127.213 2.339 . . . . 0.0 114.928 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.7 -169.51 0.12 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.283 2.041 . . . . 0.0 108.136 171.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.76 124.67 7.38 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.5 -46.25 1.69 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.137 1.375 . . . . 0.0 113.261 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -65.14 -46.43 80.96 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.8 0.727 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.63 -54.29 48.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.73 -65.04 0.63 Allowed 'General case' 0 N--CA 1.428 -1.546 0 C-N-CA 125.723 1.609 . . . . 0.0 108.877 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -36.79 -60.97 0.57 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.148 1.779 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -53.15 -53.46 50.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.056 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.75 -51.56 68.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.453 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.26 77.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 121.167 1.803 . . . . 0.0 110.043 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.29 -45.69 93.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.957 0.798 . . . . 0.0 109.482 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.55 -47.78 81.56 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.584 1.088 . . . . 0.0 111.527 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -59.26 -56.09 26.51 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.469 1.108 . . . . 0.0 108.971 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.85 66.71 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.029 0.532 . . . . 0.0 110.756 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.66 -32.55 72.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.999 0.92 . . . . 0.0 111.069 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 20.63 41.89 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.961 0.791 . . . . 0.0 111.444 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -91.41 -65.39 1.01 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -74.17 71.76 1.68 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.54 -142.7 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.26 127.88 3.57 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.067 0.841 . . . . 0.0 112.024 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 40.82 -103.74 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.276 2.231 . . . . 0.0 112.997 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -50.21 -35.89 28.41 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.21 1.004 . . . . 0.0 112.044 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -72.11 -8.72 56.23 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.871 0.868 . . . . 0.0 112.57 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.34 86.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.119 0.872 . . . . 0.0 111.347 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.77 -53.56 57.04 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.8 ttp -52.05 -50.06 62.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.849 0.86 . . . . 0.0 110.013 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -46.52 -53.34 11.49 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.675 0.79 . . . . 0.0 109.8 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -41.43 98.2 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.437 0.562 . . . . 0.0 110.426 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.15 73.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.433 0.56 . . . . 0.0 110.591 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 57' ' ' MET . 2.0 t -71.3 -30.33 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.825 -0.547 . . . . 0.0 110.765 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -25.55 35.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.905 0.775 . . . . 0.0 111.749 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.39 -23.88 67.44 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 117.965 0.348 . . . . 0.0 111.806 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -173.92 3.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.478 1.911 . . . . 0.0 111.208 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 m -161.62 175.56 11.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.615 2.366 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -38.08 -59.34 0.86 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -54.02 -48.83 70.08 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.851 0.75 . . . . 0.0 111.42 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.76 -44.82 88.82 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 mt -58.6 -52.23 66.56 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 123.981 0.913 . . . . 0.0 109.349 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -57.06 -53.19 60.88 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.171 0.588 . . . . 0.0 109.474 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.33 81.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.71 -45.68 67.69 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.09 -52.78 57.51 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.655 0.207 . . . . 0.0 110.596 173.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -54.99 -51.04 67.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.891 0.476 . . . . 0.0 110.425 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -55.7 -62.96 1.34 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.409 0.683 . . . . 0.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 mtm -55.7 -31.98 62.92 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.791 1.236 . . . . 0.0 112.969 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -62.0 -11.22 12.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.615 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -137.48 53.64 1.86 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.267 34.3 tp . . . . . 0 N--CA 1.432 -1.333 0 CA-C-O 115.495 -2.193 . . . . 0.0 107.895 -173.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.194 0.438 . . . . 0.0 114.194 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.16 -53.65 46.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.197 0.498 . . . . 0.0 111.467 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.0 -31.72 61.25 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.356 0.662 . . . . 0.0 111.446 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -77.33 -57.07 4.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -51.01 -33.91 27.05 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.323 1.449 . . . . 0.0 113.767 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -21.29 9.56 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -22.44 25.45 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.962 1.305 . . . . 0.0 111.929 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 m -91.26 -32.87 15.58 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.181 1.792 . . . . 0.0 111.823 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -53.82 159.91 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.306 0.574 . . . . 0.0 110.034 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.27 -54.56 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.96 -59.78 2.57 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 71.9 m-70 -61.37 -34.41 75.27 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.507 1.923 . . . . 0.0 112.564 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.2 -137.42 13.66 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.5 -62.79 1.25 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -67.81 -41.37 83.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.803 0.841 . . . . 0.0 110.947 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 114.1 62.33 0.41 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 125.334 1.445 . . . . 0.0 109.675 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -107.15 -30.92 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.16 1.784 . . . . 0.0 114.106 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -75.72 132.2 40.35 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -171.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 72.45 5.07 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 169.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -105.28 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.931 2.092 . . . . 0.0 113.916 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.0 mtt -70.8 77.56 0.62 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.335 -0.853 . . . . 0.0 109.636 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.36 -173.83 46.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.86 0.743 . . . . 0.0 111.246 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -64.89 66.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.439 1.895 . . . . 0.0 113.626 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.98 130.97 35.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.732 1.213 . . . . 0.0 110.055 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -62.11 133.08 94.01 Favored Pre-proline 0 C--N 1.345 0.381 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -60.13 141.9 97.17 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 N-CA-C 108.635 -1.333 . . . . 0.0 108.635 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.29 -38.35 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.553 -174.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -31.54 89.45 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.677 2.391 . . . . 0.0 112.579 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.32 48.08 2.82 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.253 1.406 . . . . 0.0 114.333 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.299 5.3 pt20 -57.95 -27.02 63.03 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.855 1.828 . . . . 0.0 112.547 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.91 135.04 1.75 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 126.813 2.149 . . . . 0.0 108.592 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.98 92.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.6 2.2 . . . . 0.0 110.728 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -47.64 81.79 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -48.07 -59.06 3.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.983 1.713 . . . . 0.0 109.231 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.11 -58.26 9.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.83 1.252 . . . . 0.0 109.385 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -41.72 -60.3 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.671 1.123 . . . . 0.0 111.506 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.21 -45.43 61.89 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.174 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -69.6 -45.83 67.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -45.95 76.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 121.045 1.748 . . . . 0.0 109.27 172.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.47 -41.59 90.07 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.58 -63.03 3.3 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 127.954 2.692 . . . . 0.0 110.644 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.48 -52.67 64.64 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.205 1.402 . . . . 0.0 110.036 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.13 69.42 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.453 0.701 . . . . 0.0 111.569 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.48 -33.62 71.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.76 -4.76 61.59 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 124.027 0.822 . . . . 0.0 112.285 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 p -73.95 -60.04 2.44 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -74.31 76.43 1.85 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.653 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.77 -171.44 39.65 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.97 148.05 6.88 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.515 1.055 . . . . 0.0 111.888 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 48.81 -101.03 0.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.54 1.936 . . . . 0.0 111.829 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -57.08 -42.38 80.58 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.536 1.134 . . . . 0.0 109.837 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -83.78 76.89 9.96 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.77 -68.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.273 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -53.51 -54.37 38.16 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -51.11 -54.19 27.37 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.38 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 m -50.4 -54.26 23.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.675 0.79 . . . . 0.0 111.023 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -36.98 84.59 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.6 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -58.92 6.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.779 0.718 . . . . 0.0 110.123 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.81 -32.5 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.065 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.04 -27.82 6.12 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.198 0.908 . . . . 0.0 112.728 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -62.78 -32.0 73.08 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.067 0.849 . . . . 0.0 111.488 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.23 127.36 32.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.131 1.372 . . . . 0.0 110.774 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 t -88.39 -175.03 4.85 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.37 -54.03 15.42 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -174.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.04 -57.88 2.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.472 1.109 . . . . 0.0 111.21 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -62.58 -47.65 82.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 125.771 1.629 . . . . 0.0 112.281 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.15 -48.17 79.36 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -60.52 -51.18 70.55 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.54 -55.93 22.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.74 -52.28 49.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.212 0.32 . . . . 0.0 110.394 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.16 -54.52 38.61 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.102 0.561 . . . . 0.0 111.545 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.05 -55.76 27.35 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.167 0.587 . . . . 0.0 110.742 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -57.83 -33.38 68.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.066 0.947 . . . . 0.0 112.103 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 m -85.55 23.14 1.42 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.386 1.074 . . . . 0.0 112.214 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -146.24 37.12 1.02 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.428 -1.56 0 C-N-CA 128.735 2.814 . . . . 0.0 106.623 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.66 -50.51 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.923 1.689 . . . . 0.0 113.056 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.53 86.75 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-O 120.622 0.249 . . . . 0.0 111.07 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -66.06 -50.4 64.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.266 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -42.83 -44.43 4.46 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -47.66 -34.52 8.2 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.201 1.401 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -69.54 -43.92 71.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.892 0.853 . . . . 0.0 110.543 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.29 -31.7 72.92 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 126.046 1.738 . . . . 0.0 110.953 -173.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -46.13 -37.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.638 0.775 . . . . 0.0 109.519 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.61 -38.28 7.26 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.428 1.013 . . . . 0.0 113.122 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 m -111.04 -31.75 7.02 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.313 1.056 . . . . 0.0 111.638 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.51 -4.07 32.08 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.87 165.37 31.2 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 121.182 -0.949 . . . . 0.0 112.822 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.35 -52.92 7.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.654 1.182 . . . . 0.0 111.853 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -108.49 43.88 1.19 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.226 1.011 . . . . 0.0 112.987 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.6 27.96 2.27 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.485 1.993 . . . . 0.0 114.731 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -83.77 -62.61 1.53 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.879 1.672 . . . . 0.0 113.8 -171.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -58.19 142.01 48.77 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 143.76 56.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.63 -128.55 0.08 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.517 0.727 . . . . 0.0 110.131 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 84.5 mmm -69.91 76.56 0.47 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.198 0.599 . . . . 0.0 110.639 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.51 -161.22 23.92 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.035 0.826 . . . . 0.0 112.02 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -62.07 70.88 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.739 2.015 . . . . 0.0 113.809 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.49 134.15 34.56 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.753 1.221 . . . . 0.0 109.031 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 134.31 96.01 Favored Pre-proline 0 C--N 1.343 0.283 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 172.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -58.21 140.04 92.76 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 N-CA-C 108.415 -1.417 . . . . 0.0 108.415 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.97 -37.27 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 118.954 -0.545 . . . . 0.0 109.711 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -35.82 95.96 0.01 OUTLIER 'General case' 0 C--N 1.343 0.323 0 C-N-CA 127.011 2.124 . . . . 0.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.86 49.56 1.98 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.502 1.525 . . . . 0.0 115.215 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.303 5.4 pt20 -58.57 -26.6 63.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.274 1.537 . . . . 0.0 110.534 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.09 134.1 1.83 Allowed Glycine 0 C--O 1.218 -0.874 0 C-N-CA 128.575 2.988 . . . . 0.0 108.232 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.09 73.11 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.955 2.877 . . . . 0.0 111.162 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.66 -53.43 47.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -62.45 1.39 Allowed 'General case' 0 C--N 1.339 0.133 0 C-N-CA 125.069 1.348 . . . . 0.0 108.467 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 mt -48.19 -67.3 0.28 Allowed 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 126.743 2.017 . . . . 0.0 109.22 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -44.58 -50.87 9.47 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.906 0.776 . . . . 0.0 111.888 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -57.83 -48.21 80.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.202 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.51 -49.52 66.25 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.259 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.04 87.08 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.777 1.626 . . . . 0.0 110.274 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.98 -43.72 94.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.756 0.707 . . . . 0.0 109.583 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.25 -53.43 23.79 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 125.319 1.438 . . . . 0.0 110.327 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -62.59 -55.0 31.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.571 0.748 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.1 70.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.552 0.341 . . . . 0.0 111.851 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.43 -40.5 85.49 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.88 12.6 25.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.63 1.11 . . . . 0.0 111.537 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.94 45.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -98.49 151.11 20.96 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.66 -155.7 26.51 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 109.089 -1.605 . . . . 0.0 109.089 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 121.55 3.66 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.144 0.878 . . . . 0.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 33.44 -91.44 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.166 2.587 . . . . 0.0 114.698 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -50.81 -33.77 24.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.735 1.214 . . . . 0.0 112.458 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -87.63 6.91 32.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.541 1.137 . . . . 0.0 112.065 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.78 11.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.767 1.167 . . . . 0.0 112.075 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.3 ttt -57.48 -45.49 84.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 tpt -51.31 -54.75 23.1 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.31 1.444 . . . . 0.0 109.469 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.9 m -54.73 -54.36 42.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.192 0.997 . . . . 0.0 109.652 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -44.63 76.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.23 -0.414 . . . . 0.0 110.786 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -59.5 5.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.839 0.29 . . . . 0.0 110.415 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.98 -31.59 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.137 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.31 -23.63 57.1 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.754 0.706 . . . . 0.0 111.614 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.96 -11.92 60.05 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.635 0.652 . . . . 0.0 112.149 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.59 177.49 6.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.936 1.294 . . . . 0.0 110.003 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -124.88 158.17 34.16 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.132 0.973 . . . . 0.0 109.694 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.01 -45.14 1.86 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.067 1.747 . . . . 0.0 113.983 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -57.88 -50.49 73.14 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 109.506 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.6 -47.62 81.65 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.203 1.001 . . . . 0.0 108.517 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.43 -52.85 63.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.99 0.916 . . . . 0.0 111.563 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -56.52 -46.37 80.63 Favored 'General case' 0 N--CA 1.457 -0.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.52 75.98 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.85 -50.15 58.19 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -52.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.36 -52.48 61.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.338 0.255 . . . . 0.0 110.981 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -53.1 -58.19 7.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.42 0.688 . . . . 0.0 110.24 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.7 mtm -63.7 -22.59 66.98 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -84.57 13.4 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.579 0.751 . . . . 0.0 111.772 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -147.21 48.91 1.12 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.253 1.268 0 CA-C-O 116.499 -1.715 . . . . 0.0 106.373 -171.417 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.788 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.64 30.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.048 0.939 . . . . 0.0 111.342 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.41 71.53 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 122.895 0.478 . . . . 0.0 110.583 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.73 -51.09 71.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.333 0.653 . . . . 0.0 110.268 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -47.33 -44.67 23.89 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -47.23 -42.97 21.35 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.867 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -66.46 -12.7 58.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -95.82 -19.64 19.45 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.26 1.824 . . . . 0.0 111.308 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.95 152.52 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.88 -51.25 1.33 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.49 -50.06 7.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.13 -28.99 27.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.677 0.791 . . . . 0.0 112.29 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 -160.4 34.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.92 -52.38 42.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.223 1.009 . . . . 0.0 113.408 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.3 66.76 1.19 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -173.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.43 31.89 14.4 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.38 -48.44 14.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 127.398 2.279 . . . . 0.0 113.399 -170.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -79.45 141.13 37.06 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.337 0.589 . . . . 0.0 110.865 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 78.12 0.97 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.29 132.71 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 128.397 2.679 . . . . 0.0 114.095 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.19 -75.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.681 1.592 . . . . 0.0 109.581 -170.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.16 118.28 0.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m 66.5 76.64 0.3 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 122.206 1.003 . . . . 0.0 110.449 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.53 140.99 24.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.516 2.326 . . . . 0.0 105.105 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -64.76 114.99 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 117.764 -1.112 . . . . 0.0 108.517 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.2 122.33 10.45 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.234 1.956 . . . . 0.0 111.716 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.63 -40.38 3.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 C-N-CA 124.97 1.308 . . . . 0.0 114.307 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -28.16 88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.578 1.951 . . . . 0.0 112.857 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.03 3.23 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.444 1.497 . . . . 0.0 116.006 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -48.8 -55.64 11.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 123.257 1.503 . . . . 0.0 107.781 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.43 146.7 4.81 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 130.451 3.881 . . . . 0.0 106.453 172.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.64 -36.81 72.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.377 1.088 . . . . 0.0 112.112 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.71 -56.89 15.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -50.85 -56.62 11.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.167 1.387 . . . . 0.0 110.342 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.76 -49.85 75.2 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 126.458 1.903 . . . . 0.0 110.491 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -59.11 -47.95 83.39 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.036 0.835 . . . . 0.0 110.314 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.29 -55.61 31.63 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.762 0.425 . . . . 0.0 111.39 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.57 -46.28 89.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.625 0.77 . . . . 0.0 111.2 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -64.74 -39.62 93.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.109 0.413 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.18 -41.32 99.19 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -52.15 37.59 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 124.984 1.278 . . . . 0.0 110.153 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.31 -55.64 26.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.861 0.864 . . . . 0.0 109.689 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.04 60.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.905 -0.497 . . . . 0.0 112.264 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -88.41 19.36 3.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.945 0.898 . . . . 0.0 111.866 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.67 33.72 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.591 1.091 . . . . 0.0 113.395 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.4 m -102.4 -48.27 4.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.989 1.316 . . . . 0.0 109.099 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -93.27 136.75 33.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.37 -160.8 33.7 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 119.502 1.046 . . . . 0.0 111.221 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.39 179.07 31.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.159 1.383 . . . . 0.0 112.485 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -54.2 -35.64 62.6 Favored 'General case' 0 C--O 1.228 -0.051 0 C-N-CA 123.555 0.742 . . . . 0.0 112.037 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -68.18 -20.24 64.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.02 -45.74 32.32 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.639 1.109 . . . . 0.0 113.393 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 ttm -53.93 -60.14 3.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.364 0.666 . . . . 0.0 109.611 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.61 -51.06 61.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.215 1.406 . . . . 0.0 109.862 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -58.41 5.39 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.717 1.207 . . . . 0.0 109.481 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.28 84.44 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.623 -0.673 . . . . 0.0 111.356 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.29 70.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.333 0.515 . . . . 0.0 110.056 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.87 -27.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 119.295 -0.383 . . . . 0.0 111.481 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -52.64 -25.86 11.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.1 0.864 . . . . 0.0 111.942 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -67.35 -16.14 64.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.44 174.94 6.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.739 1.615 . . . . 0.0 112.26 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -144.57 174.12 11.23 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.997 2.119 . . . . 0.0 107.024 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -45.61 -48.38 14.66 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 116.617 2.081 . . . . 0.0 116.617 -168.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.35 -52.95 59.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.592 1.087 . . . . 0.0 109.021 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.74 -46.28 89.62 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.338 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.77 -55.6 32.17 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.407 0.549 . . . . 0.0 109.838 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -54.72 -48.75 72.12 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.582 0.753 . . . . 0.0 109.565 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.32 -31.58 72.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 118.398 -0.81 . . . . 0.0 112.481 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -49.28 74.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -57.0 14.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.264 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -50.42 -46.57 56.47 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.721 0.408 . . . . 0.0 111.744 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -60.66 -56.35 22.29 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -57.72 -26.32 61.61 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.54 0.736 . . . . 0.0 112.322 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -83.02 2.17 36.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.91 1.284 . . . . 0.0 112.901 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -137.09 45.52 2.23 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.429 -1.51 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -171.097 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.05 79.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.824 0.85 . . . . 0.0 109.974 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.41 -50.09 42.05 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.336 0.654 . . . . 0.0 110.968 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 68' ' ' GLU . 8.5 mp -60.95 -53.48 56.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -47.02 -41.33 16.36 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.249 1.02 . . . . 0.0 113.592 -175.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -39.73 -39.58 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.867 0.729 . . . . 0.0 112.064 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -50.03 63.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.363 1.078 . . . . 0.0 110.836 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.28 -27.78 68.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 127.355 2.262 . . . . 0.0 111.025 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.7 mt -48.38 -37.33 7.6 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.87 -30.76 22.85 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 119.093 -0.837 . . . . 0.0 113.02 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -45.82 3.93 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.563 1.182 . . . . 0.0 110.827 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -87.97 -18.19 29.62 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.46 162.23 37.57 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 119.132 0.878 . . . . 0.0 111.941 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.13 -57.69 4.28 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.458 1.103 . . . . 0.0 112.152 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.64 41.52 1.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.957 0.503 . . . . 0.0 110.691 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.01 34.37 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.625 2.06 . . . . 0.0 115.422 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.5 -22.0 21.56 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.264 1.426 . . . . 0.0 114.406 -172.336 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.79 108.04 4.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.692 0.678 . . . . 0.0 112.158 -175.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.0 3.6 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.43 -119.48 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 126.215 1.806 . . . . 0.0 113.484 -172.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.0 mtt -46.66 127.87 9.98 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.101 0.864 . . . . 0.0 112.077 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.12 33.73 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.944 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 58.78 51.65 7.39 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.681 1.24 . . . . 0.0 110.825 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.61 135.69 22.6 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.911 1.284 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -56.2 112.9 4.93 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 170.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.71 106.86 0.54 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.068 1.845 . . . . 0.0 112.543 -170.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 t -22.23 -53.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 129.509 3.124 . . . . 0.0 113.613 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -17.18 85.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.065 2.546 . . . . 0.0 112.811 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.86 50.06 39.35 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 117.52 -1.711 . . . . 0.0 115.619 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.95 -51.7 55.32 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.572 2.186 . . . . 0.0 108.626 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.07 135.01 2.03 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 128.459 2.933 . . . . 0.0 108.374 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.66 -41.81 10.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.923 1.861 . . . . 0.0 111.438 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -57.05 -57.56 12.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.339 0.656 . . . . 0.0 110.37 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.75 -58.38 7.78 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.739 1.615 . . . . 0.0 108.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.3 mt -48.62 -64.46 0.8 Allowed 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 125.8 1.64 . . . . 0.0 109.752 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -47.31 -55.9 7.86 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 124.794 1.237 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -51.74 -49.59 62.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.03 -45.06 67.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.203 0.91 . . . . 0.0 111.906 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.305 0.0 OUTLIER -62.12 -36.31 81.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 120.549 1.522 . . . . 0.0 110.293 177.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.26 -44.99 86.35 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.5 -58.92 2.41 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 127.085 2.279 . . . . 0.0 111.436 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -67.15 -51.2 56.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.203 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -34.29 67.07 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.957 -0.465 . . . . 0.0 111.731 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.71 -10.58 59.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.412 1.085 . . . . 0.0 111.317 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.56 21.28 74.49 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.519 -0.601 . . . . 0.0 112.112 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p -97.47 -53.31 3.49 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.17 133.61 41.41 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.4 -175.86 44.82 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.61 166.17 18.86 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.375 -2.29 . . . . 0.0 107.375 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -47.07 -60.43 2.47 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.468 1.134 . . . . 0.0 112.019 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.98 -27.48 52.97 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.2 0.6 . . . . 0.0 112.119 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -93.7 3.86 54.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.314 1.046 . . . . 0.0 111.862 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.75 26.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.628 1.558 . . . . 0.0 112.224 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -53.92 -53.33 54.14 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.096 0.958 . . . . 0.0 108.492 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 tpt -47.2 -55.99 7.52 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.666 1.987 . . . . 0.0 110.034 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -52.23 -56.37 15.14 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.486 0.715 . . . . 0.0 110.205 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -39.37 89.59 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.856 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.11 71.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.951 0.341 . . . . 0.0 110.247 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.85 -28.59 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -29.18 10.99 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 111.495 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.11 -25.38 67.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 140.6 31.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.083 1.353 . . . . 0.0 112.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -87.34 177.48 7.12 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.623 0.769 . . . . 0.0 109.966 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -55.71 -48.6 74.87 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -55.09 -50.74 68.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.421 1.088 . . . . 0.0 110.123 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 6' ' ' LEU . 5.0 mm-40 -58.26 -53.56 56.94 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 125.093 1.357 . . . . 0.0 109.843 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.28 -48.45 65.29 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.396 1.478 . . . . 0.0 110.852 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -55.16 -55.17 34.26 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.88 75.75 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -52.96 55.62 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.63 -51.24 63.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -53.94 -50.15 67.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.801 0.441 . . . . 0.0 110.575 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -58.66 -63.92 1.11 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.63 0.729 . . . . 0.0 110.614 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.5 mtm -54.25 -25.47 23.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.1 t -61.44 -11.33 10.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.377 -1.297 . . . . 0.0 113.362 176.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -132.92 57.42 1.8 Allowed 'General case' 0 C--N 1.341 0.22 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 32.7 tp . . . . . 0 N--CA 1.433 -1.32 0 C-N-CA 125.166 1.386 . . . . 0.0 107.278 -173.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.429 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.51 -50.46 62.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.889 1.276 . . . . 0.0 111.541 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.28 46.88 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.82 0.848 . . . . 0.0 112.385 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -88.24 -50.82 6.11 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.03 -41.96 17.57 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 112.518 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pptp? -47.68 -31.13 4.35 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -47.03 17.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.794 0.838 . . . . 0.0 109.908 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 m -57.59 -36.15 71.34 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.986 1.714 . . . . 0.0 109.619 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 mt -45.93 -35.07 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.679 1.191 . . . . 0.0 110.993 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.56 -38.83 4.25 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.329 0.966 . . . . 0.0 112.01 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -104.83 -46.26 4.35 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -63.21 -12.63 29.84 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 41.92 99.56 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 118.852 0.751 . . . . 0.0 113.095 171.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 65.22 -69.75 0.1 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.825 1.65 . . . . 0.0 112.41 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.6 -47.41 85.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.59 1.156 . . . . 0.0 111.962 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.43 -17.52 9.62 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.244 0.926 . . . . 0.0 111.835 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 m -79.25 43.06 0.51 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.721 1.26 . . . . 0.0 112.942 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 178.22 8.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.681 0.753 . . . . 0.0 112.809 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.68 85.55 2.34 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 169.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -148.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.505 0.722 . . . . 0.0 110.68 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ptm -72.94 64.1 0.68 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.5 -172.85 18.74 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.593 1.568 . . . . 0.0 109.991 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -72.8 63.92 0.65 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.418 1.487 . . . . 0.0 109.743 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 130.05 38.99 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.088 0.955 . . . . 0.0 109.748 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -63.06 141.45 97.71 Favored Pre-proline 0 CA--C 1.532 0.28 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.41 138.79 56.62 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.076 1.184 . . . . 0.0 109.928 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -79.7 -32.63 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.513 0.725 . . . . 0.0 111.732 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -42.3 98.95 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.902 1.281 . . . . 0.0 111.404 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.14 48.51 46.54 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 115.969 1.147 . . . . 0.0 115.969 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -53.64 -47.64 70.11 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 123.418 1.58 . . . . 0.0 107.799 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.71 149.27 5.0 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 129.08 3.228 . . . . 0.0 109.591 173.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.21 69.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.933 0.866 . . . . 0.0 111.408 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -59.72 -55.68 31.28 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.499 1.12 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -52.76 -59.41 4.53 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 126.113 1.765 . . . . 0.0 109.416 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.14 -58.34 7.71 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.233 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.72 -57.36 4.32 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 119.147 0.885 . . . . 0.0 110.465 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.37 -50.32 40.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.672 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -51.14 68.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 117.494 -1.241 . . . . 0.0 111.846 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -43.61 71.24 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 121.472 1.942 . . . . 0.0 110.446 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -59.32 -49.19 78.77 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.39 -49.58 38.15 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.748 1.166 . . . . 0.0 111.481 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -64.2 -52.95 56.39 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.269 0.628 . . . . 0.0 109.352 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.48 62.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.399 0.68 . . . . 0.0 111.753 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -86.53 15.89 5.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.43 1.492 . . . . 0.0 111.419 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.23 35.36 14.29 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.941 1.258 . . . . 0.0 112.851 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -111.84 -59.85 1.93 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 109.809 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -78.25 72.62 4.79 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.09 -157.98 8.21 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.53 -153.58 24.83 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 108.419 -1.872 . . . . 0.0 108.419 -174.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.78 -79.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.906 0.883 . . . . 0.0 112.143 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -52.65 -37.03 57.87 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.235 1.016 . . . . 0.0 111.195 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -58.06 -25.05 60.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.213 1.805 . . . . 0.0 112.455 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.61 -53.02 12.36 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.635 1.107 . . . . 0.0 113.75 -176.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -50.44 73.0 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.83 -52.42 41.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.293 1.437 . . . . 0.0 109.649 177.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -51.92 -56.38 14.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.714 1.606 . . . . 0.0 108.586 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -45.42 89.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.774 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.58 61.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.973 0.352 . . . . 0.0 110.447 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 p -74.5 -28.5 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -49.89 -37.57 31.94 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.385 0.993 . . . . 0.0 111.195 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.59 -19.57 65.74 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.78 133.61 35.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.745 1.218 . . . . 0.0 110.666 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 t -84.74 167.27 16.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.162 0.585 . . . . 0.0 109.886 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.8 -42.84 12.68 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.073 0.949 . . . . 0.0 112.915 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -51.31 -55.96 15.6 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 122.809 1.29 . . . . 0.0 111.118 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.38 -44.77 93.79 Favored 'General case' 0 N--CA 1.424 -1.735 0 C-N-CA 126.696 1.998 . . . . 0.0 109.226 -177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.16 -52.18 61.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.167 0.587 . . . . 0.0 110.24 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -58.94 -47.8 83.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.76 84.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.63 -52.14 64.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.15 62.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.309 0.381 . . . . 0.0 110.669 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.51 -53.21 54.78 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.238 -0.288 . . . . 0.0 110.607 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -53.73 -55.97 21.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.542 0.737 . . . . 0.0 111.046 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtm -64.18 -20.7 66.19 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -89.44 8.95 28.25 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.966 0.907 . . . . 0.0 111.464 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 37.64 4.28 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.661 -1.978 . . . . 0.0 105.661 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 79' ' ' LEU . 6.5 mt . . . . . 0 N--CA 1.429 -1.521 0 C-N-CA 129.342 3.057 . . . . 0.0 103.533 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 108.794 -1.722 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.71 76.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.085 1.354 . . . . 0.0 112.667 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.87 90.9 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.993 -0.442 . . . . 0.0 110.686 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.61 -43.31 97.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.644 1.178 . . . . 0.0 110.09 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -51.2 -21.91 2.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.54 1.136 . . . . 0.0 113.474 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -53.77 -40.12 65.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 120.519 -1.363 . . . . 0.0 109.982 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -87.82 36.51 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.333 0.653 . . . . 0.0 110.863 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -143.42 -33.31 0.44 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.419 1.888 . . . . 0.0 111.215 -173.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -45.73 156.75 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 125.655 1.582 . . . . 0.0 109.88 171.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.12 -57.38 4.99 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.23 -44.93 43.45 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.225 1.513 . . . . 0.0 107.141 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.459 ' CD2' HG21 ' A' ' 29' ' ' VAL . 75.7 m80 -93.19 6.15 49.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.566 0.746 . . . . 0.0 111.266 175.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 -111.05 3.25 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 107.659 -2.177 . . . . 0.0 107.659 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.25 25.19 3.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 172.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -159.26 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.36 19.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.786 0.708 . . . . 0.0 112.525 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -80.2 -23.56 40.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.461 1.131 . . . . 0.0 110.487 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.68 143.75 35.09 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.627 0.771 . . . . 0.0 110.893 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.66 23.16 2.75 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.99 0.516 . . . . 0.0 110.611 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 25.13 -135.78 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.585 3.154 . . . . 0.0 114.549 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.9 mmt -75.41 66.66 1.86 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.36 86.41 1.82 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 115.543 0.977 . . . . 0.0 115.543 171.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 51.74 43.24 30.11 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.68 141.9 56.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -59.28 122.5 64.17 Favored Pre-proline 0 N--CA 1.441 -0.888 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 172.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.14 136.23 53.51 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 121.648 1.565 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG21 ' CD2' ' A' ' 14' ' ' HIS . 40.2 t -90.07 -34.9 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.618 1.567 . . . . 0.0 111.484 -173.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -38.47 101.38 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.829 1.651 . . . . 0.0 109.719 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.52 47.08 45.54 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.618 1.407 . . . . 0.0 116.618 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -56.12 -54.17 48.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.481 1.61 . . . . 0.0 107.941 173.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.38 135.53 2.58 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 128.355 2.883 . . . . 0.0 109.865 174.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.12 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.019 1.727 . . . . 0.0 113.784 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -63.69 -52.78 59.09 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 123.748 0.819 . . . . 0.0 109.47 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -60.16 3.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 126.421 1.888 . . . . 0.0 108.0 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -52.88 -64.4 0.83 Allowed 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 127.331 2.252 . . . . 0.0 109.589 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -42.51 -52.97 4.53 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 124.694 1.198 . . . . 0.0 111.75 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -57.15 -47.79 80.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.137 0.273 . . . . 0.0 111.111 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -65.52 -52.5 52.13 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.595 -0.717 . . . . 0.0 112.517 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.28 80.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.013 1.279 . . . . 0.0 109.806 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.49 -43.22 99.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.5 63.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.302 0.953 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -58.9 -56.14 26.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.678 0.791 . . . . 0.0 109.371 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.27 75.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.73 0.412 . . . . 0.0 111.62 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.37 -38.02 89.51 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.652 0.781 . . . . 0.0 109.988 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.77 23.31 15.91 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.243 0.925 . . . . 0.0 111.23 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -95.36 -67.39 0.85 Allowed 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -74.12 73.12 1.72 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.21 -174.86 30.54 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.15 176.92 42.03 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -47.09 -53.17 13.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.161 0.984 . . . . 0.0 112.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -60.85 -24.35 65.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -89.11 -29.86 19.06 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.261 1.024 . . . . 0.0 110.771 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -20.78 -57.04 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.285 2.234 . . . . 0.0 116.173 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.1 mmt -56.02 -54.87 39.69 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 110.467 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.3 ttp -58.9 -47.92 83.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -48.99 -52.15 26.63 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.19 0.596 . . . . 0.0 110.082 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -41.26 89.05 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.95 -0.469 . . . . 0.0 110.611 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.8 -47.75 76.58 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.609 0.64 . . . . 0.0 110.31 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.77 -24.39 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.827 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -50.37 -36.54 32.87 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.839 1.199 . . . . 0.0 110.086 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -60.95 -28.9 69.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.276 1.03 . . . . 0.0 112.583 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 119.51 24.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.768 1.227 . . . . 0.0 111.408 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -83.04 -170.14 2.88 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.08 -53.23 53.42 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.9 -49.17 71.89 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.927 0.87 . . . . 0.0 110.336 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.25 -49.5 77.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.254 1.821 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.63 -50.32 70.49 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.212 0.605 . . . . 0.0 109.592 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.65 -41.52 95.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.189 0.196 . . . . 0.0 110.476 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.72 -45.0 80.1 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.34 -51.39 66.91 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.31 -47.58 81.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.526 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -51.27 -63.49 1.11 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 mtt -55.94 -33.67 64.94 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -65.85 -18.66 65.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.033 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -127.45 53.52 1.74 Allowed 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.257 43.1 tp . . . . . 0 N--CA 1.432 -1.351 0 CA-C-O 116.111 -1.899 . . . . 0.0 106.479 -170.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.831 0 CA-C-O 119.442 -0.643 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.54 60.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.749 1.275 . . . . 0.0 112.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.87 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.75 -50.61 69.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.13 1.372 . . . . 0.0 111.109 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -45.8 -33.86 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.851 1.661 . . . . 0.0 114.517 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -50.4 -37.37 37.25 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.663 0.385 . . . . 0.0 110.854 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -62.71 -22.97 66.91 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.3 1.04 . . . . 0.0 113.438 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -90.2 -25.85 20.41 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.297 1.439 . . . . 0.0 111.211 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.34 142.72 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 -45.55 1.29 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -173.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -94.08 -31.07 14.35 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 117.95 0.875 . . . . 0.0 109.498 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 29' ' ' VAL . 54.0 m-70 -110.15 -41.31 4.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.75 174.56 19.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -174.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.06 96.69 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.755 0.777 . . . . 0.0 109.702 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.45 -71.04 0.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.68 61.85 0.03 OUTLIER Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -129.32 -22.57 3.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -169.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -71.36 158.56 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 0.0 111.447 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.68 77.61 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.826 0.85 . . . . 0.0 110.508 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.55 136.2 17.15 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.355 0.662 . . . . 0.0 110.271 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 mtp 46.6 33.31 1.97 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.934 1.294 . . . . 0.0 112.176 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.23 -5.92 52.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.378 -1.234 . . . . 0.0 114.3 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -170.06 104.46 0.31 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.014 1.907 . . . . 0.0 109.341 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.44 144.15 15.37 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.42 139.61 94.85 Favored Pre-proline 0 C--O 1.234 0.247 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -64.31 141.7 76.18 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 N-CA-C 107.168 -1.897 . . . . 0.0 107.168 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 14' ' ' HIS . 9.6 t -86.2 -35.16 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 124.017 0.927 . . . . 0.0 108.613 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -33.34 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 127.671 2.388 . . . . 0.0 109.375 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.28 51.52 6.29 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 126.24 1.876 . . . . 0.0 116.639 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.0 -55.54 29.8 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 123.416 1.579 . . . . 0.0 108.145 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.09 144.27 4.0 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 128.376 2.893 . . . . 0.0 107.692 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.81 95.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 120.244 2.022 . . . . 0.0 112.982 -175.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.45 -52.17 62.57 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -48.86 -60.26 2.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.815 1.646 . . . . 0.0 108.162 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.71 -70.31 0.09 Allowed 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.651 1.58 . . . . 0.0 109.211 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -39.87 -55.86 1.9 Allowed 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 124.515 1.126 . . . . 0.0 112.143 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.6 -44.06 85.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -72.11 -43.62 64.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.83 96.49 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 121.531 1.969 . . . . 0.0 109.003 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -59.89 -43.67 94.65 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' C ' ' HB3' ' A' ' 49' ' ' TYR . . . -45.2 -61.32 3.62 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 128.268 2.842 . . . . 0.0 111.509 175.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.62 -52.5 63.11 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.385 1.474 . . . . 0.0 109.373 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.95 62.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.396 0.678 . . . . 0.0 111.16 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -73.53 -10.7 59.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.819 0.848 . . . . 0.0 111.967 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.14 28.48 73.6 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 123.777 0.703 . . . . 0.0 111.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 p -109.85 -49.99 3.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.099 0.96 . . . . 0.0 109.154 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' HB3' ' C ' ' A' ' 43' ' ' GLY . 42.1 t80 -74.37 66.33 1.32 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.337 0.655 . . . . 0.0 109.784 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.35 -165.69 32.45 Favored Glycine 0 CA--C 1.521 0.456 0 O-C-N 120.883 -1.136 . . . . 0.0 112.401 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.65 47.08 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 29.44 -110.46 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 113.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.16 -34.94 15.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.981 1.312 . . . . 0.0 113.813 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -63.89 -26.17 68.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.79 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.63 -48.61 2.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.32 -54.78 41.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 109.853 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -57.39 -48.45 79.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.684 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -45.81 -55.62 6.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.821 0.848 . . . . 0.0 109.403 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -39.4 92.33 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.186 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.76 77.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.649 0.659 . . . . 0.0 110.862 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.06 -22.84 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.205 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -46.5 -35.31 5.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.173 1.389 . . . . 0.0 111.128 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -52.49 -34.69 50.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.869 0.468 . . . . 0.0 111.551 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.0 128.96 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.191 1.396 . . . . 0.0 111.272 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 p -79.18 -79.2 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.262 1.025 . . . . 0.0 112.218 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.57 -61.91 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 125.286 1.435 . . . . 0.0 109.313 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -50.01 -47.68 52.93 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-O 122.54 1.162 . . . . 0.0 108.383 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -56.17 -55.91 27.4 Favored 'General case' 0 N--CA 1.422 -1.843 0 C-N-CA 125.667 1.587 . . . . 0.0 110.958 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 mt -53.79 -49.33 68.54 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.23 1.012 . . . . 0.0 110.635 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.56 -44.71 89.78 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.0 79.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.01 -48.22 82.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.26 -61.32 2.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.209 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -42.92 -50.11 5.83 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.126 0.97 . . . . 0.0 112.776 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -47.75 -56.82 6.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.557 0.343 . . . . 0.0 110.752 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.8 mtm -74.13 -21.95 59.66 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -64.17 -30.74 71.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.116 0.871 . . . . 0.0 112.919 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -112.02 53.41 0.73 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 1.9 tp . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 105.539 -2.023 . . . . 0.0 105.539 -170.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.1 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.51 -42.38 32.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.737 1.215 . . . . 0.0 110.766 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.25 -48.0 46.1 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.706 0.803 . . . . 0.0 111.934 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.04 -48.02 47.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.215 1.406 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -45.36 -29.25 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.841 1.656 . . . . 0.0 114.66 -175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -44.33 -38.18 3.76 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.033 1.333 . . . . 0.0 112.24 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -65.61 -51.91 56.04 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 123.375 1.559 . . . . 0.0 110.807 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.21 -34.24 63.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 131.225 3.81 . . . . 0.0 111.306 -174.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -43.66 -40.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.683 175.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.8 -38.11 3.08 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.695 1.141 . . . . 0.0 113.578 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.4 m -114.35 -36.68 4.57 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.339 1.069 . . . . 0.0 111.975 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.16 -10.74 40.69 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.69 177.29 51.11 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.423 -0.798 . . . . 0.0 112.789 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.87 -55.88 7.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.916 1.287 . . . . 0.0 112.974 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -82.79 -80.97 0.16 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.02 36.24 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.807 2.146 . . . . 0.0 109.3 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -28.15 12.09 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.388 1.875 . . . . 0.0 115.9 -167.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -74.76 144.73 43.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.353 1.433 . . . . 0.0 111.108 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 108.6 4.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -178.35 0.97 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.994 0.517 . . . . 0.0 110.625 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mmt -37.92 129.25 1.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 113.458 -177.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.11 38.0 72.95 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.119 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 52.85 50.87 17.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.15 0.98 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.65 152.74 41.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -63.22 135.8 96.4 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.87 149.19 59.43 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 121.293 1.329 . . . . 0.0 108.73 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.29 -35.72 8.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.122 0.569 . . . . 0.0 111.041 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -47.29 105.4 0.07 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.49 1.116 . . . . 0.0 110.496 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.47 25.6 62.95 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 117.07 -1.961 . . . . 0.0 116.652 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -59.67 -50.68 72.92 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 121.981 2.891 . . . . 0.0 107.796 172.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.43 153.39 5.86 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 128.625 3.012 . . . . 0.0 109.977 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.4 80.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.576 0.751 . . . . 0.0 112.615 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -64.26 -53.15 53.55 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 123.717 0.807 . . . . 0.0 109.1 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -49.63 -60.73 2.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.999 1.72 . . . . 0.0 108.135 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.1 mt -54.52 -61.43 2.31 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.8 -52.14 6.87 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 120.025 1.284 . . . . 0.0 111.725 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -56.72 -50.85 70.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.491 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -60.94 -49.13 78.7 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.188 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -46.16 74.51 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 121.405 1.911 . . . . 0.0 109.669 176.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -60.68 -47.92 84.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.076 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.49 -47.96 56.03 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.572 1.082 . . . . 0.0 111.579 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -62.51 -52.26 64.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.18 64.63 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.903 0.774 . . . . 0.0 112.09 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -70.36 -12.46 61.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.034 1.334 . . . . 0.0 111.76 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.76 21.67 76.59 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 p -93.09 -61.91 1.48 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -79.05 65.82 4.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.19 -151.3 6.96 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.886 1.232 . . . . 0.0 111.371 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.92 107.39 0.58 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.316 0.96 . . . . 0.0 111.056 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.84 -101.18 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.495 1.918 . . . . 0.0 112.823 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -47.94 -37.9 15.43 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.691 1.197 . . . . 0.0 112.113 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -55.03 -22.35 15.35 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.86 1.264 . . . . 0.0 112.294 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.73 -39.84 38.61 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.633 0.651 . . . . 0.0 111.473 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.18 -46.39 87.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 109.609 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 ttm -59.07 -51.15 71.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.215 1.006 . . . . 0.0 108.753 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 m -46.78 -55.46 7.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.366 1.466 . . . . 0.0 109.068 175.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -46.89 81.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.826 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.65 3.44 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.018 0.372 . . . . 0.0 110.823 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.25 -34.98 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 111.689 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.23 -25.92 64.43 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.017 0.826 . . . . 0.0 111.492 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.15 -11.18 60.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.452 0.569 . . . . 0.0 111.867 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.29 141.44 30.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.008 1.323 . . . . 0.0 109.026 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -83.59 166.16 18.42 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 110.185 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.84 -40.67 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.177 -0.952 . . . . 0.0 111.822 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.44 -55.46 25.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.967 0.889 . . . . 0.0 109.549 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -59.57 -47.03 87.14 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.74 -49.27 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.855 0.752 . . . . 0.0 110.451 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -59.78 -42.24 92.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.55 92.55 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.54 -48.55 81.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.811 1.244 . . . . 0.0 107.877 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.88 63.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.902 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -51.34 -52.91 41.31 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.509 0.724 . . . . 0.0 110.709 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -47.02 -68.22 0.21 Allowed 'General case' 0 C--N 1.338 0.087 0 C-N-CA 124.401 1.08 . . . . 0.0 109.745 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.95 -25.27 63.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.844 0.857 . . . . 0.0 113.267 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -83.48 -4.05 58.16 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.566 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -135.54 50.36 2.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -171.407 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 CA-C-O 121.072 0.262 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -50.76 4.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.171 2.189 . . . . 0.0 112.275 -177.548 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.09 -35.58 26.01 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.703 1.201 . . . . 0.0 112.328 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.91 -49.41 7.1 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -46.76 -39.97 12.67 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.351 1.06 . . . . 0.0 113.164 -176.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -45.6 -31.63 1.96 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -50.42 16.32 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.87 0.843 . . . . 0.0 109.866 177.713 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.94 -33.84 67.41 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.024 2.13 . . . . 0.0 110.187 -176.571 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.1 mt -46.87 -34.78 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.479 0.712 . . . . 0.0 110.592 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.75 -37.6 9.24 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.756 -0.469 . . . . 0.0 112.314 177.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.66 -22.39 11.63 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.518 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -104.1 -19.09 14.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.99 159.76 13.2 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.28 -46.2 35.62 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.913 -0.757 . . . . 0.0 112.72 -177.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -83.67 -6.5 59.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.99 0.916 . . . . 0.0 113.185 -177.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.13 16.24 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 120.655 -1.278 . . . . 0.0 111.674 -175.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -81.64 -32.64 31.79 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.287 1.835 . . . . 0.0 113.059 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -58.31 114.05 2.24 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 123.514 0.726 . . . . 0.0 112.127 -174.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.92 80.67 1.66 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.923 0.889 . . . . 0.0 108.805 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.84 171.55 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.662 1.985 . . . . 0.0 114.387 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.9 mtp -17.74 99.18 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.777 2.431 . . . . 0.0 115.263 -176.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.47 56.07 2.9 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 177.166 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 45.12 47.68 9.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.025 1.33 . . . . 0.0 112.73 176.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 140.64 42.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.061 0.544 . . . . 0.0 111.652 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 119.73 25.36 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.001 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -53.84 142.37 63.37 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.397 1.398 . . . . 0.0 111.955 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.0 t -77.81 -36.18 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.135 0.974 . . . . 0.0 110.261 -176.683 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -23.42 90.91 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 0.0 110.588 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 34.44 58.08 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.171 1.843 . . . . 0.0 115.665 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -48.74 -51.7 27.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 123.096 1.427 . . . . 0.0 108.582 175.004 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.59 130.46 1.12 Allowed Glycine 0 C--O 1.22 -0.777 0 C-N-CA 127.259 2.361 . . . . 0.0 109.126 172.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.3 -43.47 4.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.574 2.187 . . . . 0.0 113.132 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.87 -48.98 69.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.216 0.462 . . . . 0.0 110.421 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.12 -56.19 22.61 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 125.074 1.349 . . . . 0.0 108.647 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.86 -60.22 3.3 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 126.317 1.847 . . . . 0.0 109.049 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -46.66 -54.83 8.78 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.164 0.893 . . . . 0.0 111.782 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -54.77 -46.76 74.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.023 0.202 . . . . 0.0 111.167 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -61.59 -56.29 21.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.161 179.203 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -43.85 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 121.213 1.824 . . . . 0.0 111.3 177.483 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -58.71 -46.71 86.7 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.023 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.96 -48.54 81.79 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.785 1.183 . . . . 0.0 111.645 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -58.39 -57.6 12.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.596 1.159 . . . . 0.0 108.225 177.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.91 69.68 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.194 0.598 . . . . 0.0 111.33 -179.126 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.71 -33.89 76.02 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.385 0.674 . . . . 0.0 110.913 178.325 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.82 19.75 30.67 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.206 0.907 . . . . 0.0 111.515 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -57.24 2.81 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.822 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -78.8 63.22 3.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.63 131.41 2.35 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.377 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.56 148.74 20.66 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 107.315 -2.314 . . . . 0.0 107.315 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 37.0 -103.78 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.232 2.213 . . . . 0.0 113.032 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -47.96 -36.55 12.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.684 1.194 . . . . 0.0 112.681 -177.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -66.4 -12.98 59.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.64 -40.5 53.33 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.188 0.595 . . . . 0.0 111.297 177.758 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.8 mtt -54.91 -57.34 12.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.28 0.632 . . . . 0.0 110.224 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' HG22 ' A' ' 61' ' ' VAL . 46.8 mtm -61.76 -45.85 92.11 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.513 0.725 . . . . 0.0 110.244 178.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.0 m -46.46 -48.01 19.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.528 0.731 . . . . 0.0 109.495 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -46.2 56.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.787 176.581 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -63.95 1.01 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.555 0.616 . . . . 0.0 112.544 -176.358 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 57' ' ' MET . 4.3 m -62.51 -26.21 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.622 -0.674 . . . . 0.0 111.729 -178.013 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -62.05 -21.98 65.37 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.924 0.784 . . . . 0.0 110.837 176.582 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.07 -20.44 60.96 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.841 0.746 . . . . 0.0 111.017 176.659 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.17 178.11 5.84 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.853 1.261 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.2 p -125.65 167.49 15.03 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.757 0.823 . . . . 0.0 110.127 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -44.2 -46.89 9.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.008 0.923 . . . . 0.0 113.355 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.58 -54.03 25.82 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-O 121.659 0.742 . . . . 0.0 109.996 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.05 -55.91 28.64 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.158 1.383 . . . . 0.0 109.393 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -51.52 -51.73 52.85 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.354 0.409 . . . . 0.0 110.957 -178.677 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -57.2 -48.44 78.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.31 72.4 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -50.86 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.22 69.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.203 174.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.37 -53.64 54.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.493 0.317 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -54.37 -55.13 31.66 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 110.65 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 mtm -61.95 -25.75 67.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -83.09 6.94 17.34 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.719 175.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -143.3 50.0 1.41 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.399 -2.075 . . . . 0.0 105.399 179.201 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -172.695 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.34 -46.8 55.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.509 1.124 . . . . 0.0 112.977 -176.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.61 73.98 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.54 -42.29 70.74 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.581 1.552 . . . . 0.0 109.865 -178.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -48.43 -29.15 3.77 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.206 1.002 . . . . 0.0 113.268 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -54.21 -37.31 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.34 -0.85 . . . . 0.0 110.58 177.638 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -91.92 37.35 0.97 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.6 0.76 . . . . 0.0 110.839 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.24 -32.91 0.7 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.34 1.456 . . . . 0.0 112.274 -174.806 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.4 153.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.683 1.593 . . . . 0.0 109.36 174.032 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.14 -54.91 4.93 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-O 118.564 -1.131 . . . . 0.0 110.298 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.2 -40.51 44.89 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.697 1.749 . . . . 0.0 107.815 178.526 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -104.11 11.74 34.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.044 0.938 . . . . 0.0 111.641 177.218 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.56 -102.53 1.51 Allowed Glycine 0 C--N 1.335 0.491 0 N-CA-C 107.29 -2.324 . . . . 0.0 107.29 174.728 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.48 30.27 1.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -161.16 -103.17 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -173.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.66 31.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.814 1.197 . . . . 0.0 111.66 177.828 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 m -90.68 -44.66 9.35 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 117.728 0.764 . . . . 0.0 111.343 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 150.45 48.54 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.576 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 130.63 39.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.54 -122.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.746 0.818 . . . . 0.0 110.143 -178.154 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.5 mtt -69.35 75.75 0.37 Allowed 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.642 -0.661 . . . . 0.0 109.796 177.201 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 -173.8 55.08 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.614 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -40.92 101.92 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.725 2.01 . . . . 0.0 112.91 -178.724 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.15 133.66 37.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.742 1.217 . . . . 0.0 107.724 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -58.17 123.39 64.96 Favored Pre-proline 0 N--CA 1.432 -1.33 0 C-N-CA 125.348 1.459 . . . . 0.0 109.075 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.56 134.82 47.26 Favored 'Trans proline' 0 N--CA 1.45 -1.029 0 C-N-CA 121.945 1.763 . . . . 0.0 109.875 175.806 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.26 -36.8 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.871 1.268 . . . . 0.0 110.217 -175.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -43.96 101.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.792 1.237 . . . . 0.0 110.131 -179.326 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.65 40.55 99.3 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 117.19 1.636 . . . . 0.0 117.19 176.445 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -57.94 -58.62 7.61 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.272 2.036 . . . . 0.0 108.27 172.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.12 137.75 2.26 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.492 2.472 . . . . 0.0 108.592 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.12 64.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.708 1.754 . . . . 0.0 112.561 -176.056 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.59 -54.87 40.16 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.495 0.589 . . . . 0.0 110.128 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -48.21 -57.97 5.17 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.487 1.515 . . . . 0.0 108.411 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.26 -68.09 0.2 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 113.646 -1.615 . . . . 0.0 109.129 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -38.18 -61.72 0.64 Allowed 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.977 1.711 . . . . 0.0 111.81 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -53.7 -42.1 67.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.949 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -75.9 -44.15 41.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.445 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -37.65 85.15 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.034 1.743 . . . . 0.0 109.36 174.741 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -63.18 -46.96 84.64 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.345 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.21 -50.04 41.59 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.037 1.303 . . . . 0.0 110.695 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -62.36 -57.97 9.39 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.453 0.701 . . . . 0.0 109.483 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.83 66.91 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.636 -0.665 . . . . 0.0 112.51 -179.191 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.95 -22.64 63.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.448 1.099 . . . . 0.0 111.346 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.22 20.08 63.39 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.603 0.621 . . . . 0.0 111.657 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -90.79 -52.09 5.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.163 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.25 147.91 27.71 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.43 -172.63 40.25 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.463 1.029 . . . . 0.0 111.657 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.04 162.34 22.15 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.485 -2.646 . . . . 0.0 106.485 -179.014 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.72 -54.29 19.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.953 1.377 . . . . 0.0 112.429 -176.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -59.7 -23.56 63.23 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.055 0.542 . . . . 0.0 112.311 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.83 1.9 54.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 111.268 -176.644 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.6 -51.4 70.06 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.608 1.095 . . . . 0.0 111.785 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.8 ttm -57.19 -50.33 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 ttp -54.49 -50.35 68.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.339 0.655 . . . . 0.0 109.915 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -50.83 -52.93 36.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.885 0.874 . . . . 0.0 108.814 178.753 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -43.52 95.11 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.603 178.534 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -51.3 67.73 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.588 0.631 . . . . 0.0 110.416 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.13 -23.45 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.035 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -54.68 -33.86 61.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.576 1.08 . . . . 0.0 109.981 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -64.91 -22.49 67.0 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 123.907 0.883 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 131.11 34.84 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.913 1.285 . . . . 0.0 112.566 -174.35 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -76.72 174.25 10.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -55.45 -46.59 76.77 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.14 -0.975 . . . . 0.0 110.965 179.13 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 1.9 mp0 -52.31 -53.19 47.37 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.209 1.403 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.056 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.72 -45.95 85.06 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.491 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -59.73 -45.11 93.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.823 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.58 78.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.197 -0.315 . . . . 0.0 111.839 178.061 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.59 -52.83 61.83 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.51 62.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.639 176.486 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.82 -50.64 63.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.724 0.41 . . . . 0.0 110.648 178.12 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -53.73 -58.45 7.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.156 0.982 . . . . 0.0 110.235 178.662 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.1 mmt -56.15 -34.8 66.48 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.018 0.927 . . . . 0.0 111.29 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -82.05 9.54 8.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 117.766 -1.111 . . . . 0.0 113.349 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.77 38.89 1.49 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 178.121 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.431 -1.423 0 C-N-CA 125.979 1.712 . . . . 0.0 108.152 -174.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.64 44.45 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.569 0.748 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.87 84.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.597 0.359 . . . . 0.0 111.106 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.08 -44.61 95.28 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 125.547 1.539 . . . . 0.0 110.788 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.14 -40.95 67.88 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -31.22 -56.64 0.24 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.115 1.366 . . . . 0.0 113.414 -177.801 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -61.41 -40.39 94.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.24 -28.1 67.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.743 1.617 . . . . 0.0 110.953 -175.471 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.0 -35.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 C-N-CA 123.862 0.865 . . . . 0.0 109.329 175.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.56 -41.47 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.651 178.099 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.3 m -106.62 -33.18 7.73 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.073 0.937 . . . . 0.0 111.745 -178.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -95.42 -26.57 15.81 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.021 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.55 170.05 46.04 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -177.156 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -65.28 0.58 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 -177.76 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.68 34.3 0.49 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.074 0.55 . . . . 0.0 110.711 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.35 36.67 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.439 1.971 . . . . 0.0 113.893 -178.07 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -98.72 -25.07 14.8 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -168.073 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -79.8 37.67 0.36 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.996 1.725 . . . . 0.0 112.916 -172.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.74 -113.91 0.82 Allowed 'General case' 0 C--N 1.342 0.239 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.25 168.8 2.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.057 2.943 . . . . 0.0 106.603 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -42.9 108.89 0.11 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.061 1.345 . . . . 0.0 111.965 -177.183 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.86 -97.42 1.14 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 -178.232 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -159.22 137.91 10.89 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.54 152.65 10.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.835 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -58.61 118.49 28.87 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 172.821 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.39 144.56 95.18 Favored 'Trans proline' 0 N--CA 1.444 -1.44 0 N-CA-C 107.519 -1.762 . . . . 0.0 107.519 179.255 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 t -66.84 -37.05 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -27.12 98.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.961 2.504 . . . . 0.0 111.285 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 36.91 37.96 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.977 2.227 . . . . 0.0 114.849 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.319 3.7 pt20 -61.74 -34.24 75.47 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.585 1.693 . . . . 0.0 111.289 -177.101 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.15 123.4 1.26 Allowed Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.227 1.87 . . . . 0.0 112.127 170.081 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.7 -42.97 26.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.358 2.079 . . . . 0.0 112.324 178.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.53 -55.4 35.08 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.326 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -45.48 -61.01 1.86 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.919 2.088 . . . . 0.0 108.871 177.672 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.75 -62.62 1.54 Allowed 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 128.109 2.564 . . . . 0.0 109.171 -178.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -43.56 -59.06 2.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.439 1.096 . . . . 0.0 111.376 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -50.69 -49.05 58.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.028 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -68.18 -46.48 70.58 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.344 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -35.36 79.29 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 120.866 1.666 . . . . 0.0 110.023 175.218 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -61.49 -47.29 86.31 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.86 -53.07 31.54 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.86 1.219 . . . . 0.0 110.99 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -64.58 -49.16 72.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.704 0.802 . . . . 0.0 110.872 -179.159 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.42 90.85 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.644 -0.66 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.62 -37.96 80.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.102 0.561 . . . . 0.0 110.351 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 11.65 34.97 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.608 1.099 . . . . 0.0 111.327 -178.372 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.88 60.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.07 144.97 27.0 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.047 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.69 -172.45 41.17 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.17 163.05 12.98 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 -179.117 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -46.95 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.868 0.834 . . . . 0.0 112.082 -178.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -70.24 -26.98 64.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.047 0.539 . . . . 0.0 111.744 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -80.38 -25.56 39.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.581 0.752 . . . . 0.0 110.658 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -33.58 -53.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.643 1.577 . . . . 0.0 115.211 -176.209 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 94.3 mtp -54.2 -59.29 4.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.67 0.747 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.7 ttp -55.99 -44.59 78.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.352 1.061 . . . . 0.0 109.974 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 m -55.65 -52.41 63.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -40.33 93.44 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 119.2 -0.429 . . . . 0.0 109.993 178.238 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -56.78 17.44 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.442 0.565 . . . . 0.0 109.815 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.89 -25.95 38.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.826 -0.547 . . . . 0.0 111.447 179.189 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.29 -27.22 61.95 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.306 0.957 . . . . 0.0 110.261 176.361 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -73.33 -17.34 61.31 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.196 0.453 . . . . 0.0 111.98 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.16 -161.08 0.5 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.395 1.478 . . . . 0.0 110.419 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -146.49 -77.41 0.18 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -153.75 -51.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.519 0.328 . . . . 0.0 111.753 -176.066 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.38 -49.74 66.57 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.603 1.192 . . . . 0.0 107.986 177.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -50.83 -57.39 8.54 Favored 'General case' 0 N--CA 1.424 -1.752 0 C-N-CA 128.143 2.577 . . . . 0.0 109.728 177.02 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.27 -50.08 72.39 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.575 1.15 . . . . 0.0 111.198 -178.028 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.7 -48.24 81.79 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.92 78.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.37 -48.74 54.87 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.432 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.48 -52.84 52.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.999 0.52 . . . . 0.0 111.173 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -56.61 -54.99 39.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.31 -0.243 . . . . 0.0 110.68 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -53.24 -51.26 62.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.331 0.586 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.3 mtp -60.76 -29.98 69.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.413 1.085 . . . . 0.0 111.784 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -76.24 2.79 12.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.339 175.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -130.18 38.63 3.76 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 -175.322 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.75 -51.5 69.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.946 0.898 . . . . 0.0 111.287 -178.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.61 61.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.559 0.743 . . . . 0.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 6' ' ' LEU . 4.8 mp -79.1 -59.25 2.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.184 0.994 . . . . 0.0 108.499 178.481 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -43.41 -45.93 6.44 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.933 1.693 . . . . 0.0 113.161 -176.367 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -31.96 2.55 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.98 -45.03 28.82 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.052 0.929 . . . . 0.0 110.632 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -58.41 -31.9 68.14 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.72 2.008 . . . . 0.0 110.183 -175.279 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.9 mt -44.02 -36.08 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.62 1.168 . . . . 0.0 110.928 174.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.57 -42.76 14.48 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 118.245 0.475 . . . . 0.0 112.111 178.492 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.7 m -99.11 -34.71 10.28 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 117.282 0.541 . . . . 0.0 110.999 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.435 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 72.8 m-70 -81.9 -33.13 30.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -172.493 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.35 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.014 0 CA-C-N 119.48 1.036 . . . . 0.0 113.427 175.294 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.47 -110.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.239 1.815 . . . . 0.0 111.82 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.58 -12.31 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.362 1.065 . . . . 0.0 111.876 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 101.83 41.04 2.56 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.165 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -87.93 -32.63 18.81 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 126.552 1.941 . . . . 0.0 114.8 -172.056 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -76.75 139.35 40.4 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.582 -175.233 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 102.29 3.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -175.49 0.12 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.649 0.78 . . . . 0.0 112.058 -178.661 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt -30.91 119.66 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.355 1.862 . . . . 0.0 113.625 -176.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 39.58 63.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.182 0.896 . . . . 0.0 112.644 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m 52.26 52.8 13.54 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.122 0.969 . . . . 0.0 111.094 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.5 149.87 49.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.005 0.922 . . . . 0.0 112.447 -177.427 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -54.35 118.58 16.72 Favored Pre-proline 0 N--CA 1.447 -0.583 0 C-N-CA 124.593 1.157 . . . . 0.0 108.605 173.663 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.72 148.8 72.31 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 CA-C-N 120.065 1.059 . . . . 0.0 110.547 177.109 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -76.49 -41.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.144 -177.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -19.98 85.84 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 0 C-N-CA 127.387 2.275 . . . . 0.0 113.328 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.78 54.87 4.14 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.758 1.647 . . . . 0.0 115.795 179.713 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -49.03 -52.88 22.75 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.008 1.385 . . . . 0.0 109.174 174.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 137.24 2.23 Favored Glycine 0 C--O 1.222 -0.655 0 CA-C-N 112.389 -2.187 . . . . 0.0 109.484 174.309 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.76 14.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.091 1.946 . . . . 0.0 112.314 -178.708 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -57.52 -56.26 24.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.714 0.805 . . . . 0.0 109.61 178.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.92 -59.05 5.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.111 1.364 . . . . 0.0 109.387 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -53.62 -49.16 68.44 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.879 1.271 . . . . 0.0 110.866 -177.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -56.73 -60.46 3.52 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.183 0.593 . . . . 0.0 110.484 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -54.82 -47.82 73.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.109 -176.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.06 -41.6 77.37 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.638 -0.664 . . . . 0.0 111.035 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.441 ' SD ' HD13 ' A' ' 69' ' ' LEU 0.262 3.6 ppp? -68.08 -39.16 82.96 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.031 0.832 . . . . 0.0 110.361 179.34 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.03 -45.55 86.77 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.003 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.65 -61.01 3.08 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.905 2.193 . . . . 0.0 111.374 174.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -61.97 -52.8 62.55 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 109.659 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.96 65.49 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.609 0.764 . . . . 0.0 111.891 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -86.52 11.17 13.25 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.077 0.551 . . . . 0.0 111.168 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.33 33.43 11.33 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.436 1.017 . . . . 0.0 112.008 -178.824 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -108.53 -54.97 2.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.789 0.836 . . . . 0.0 108.757 -176.537 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.5 95.72 8.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 175.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.37 -176.97 45.88 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 118.592 -1.766 . . . . 0.0 113.507 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.94 171.62 44.66 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 107.189 -2.364 . . . . 0.0 107.189 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -41.99 -57.69 2.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.888 1.275 . . . . 0.0 112.36 -177.166 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.91 -27.41 12.9 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.994 1.318 . . . . 0.0 113.975 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -87.42 -27.11 22.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.254 1.022 . . . . 0.0 111.285 -177.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -26.9 -55.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.999 2.12 . . . . 0.0 116.22 -173.624 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -53.14 -55.26 25.51 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 109.808 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 ttp -61.26 -49.79 75.65 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.79 178.288 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -45.91 -55.59 6.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.9 97.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.532 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.73 -59.6 4.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.6 0.636 . . . . 0.0 110.71 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.7 -29.71 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.861 -0.524 . . . . 0.0 111.63 -179.227 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -56.4 -25.17 49.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.098 0.863 . . . . 0.0 111.09 176.698 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -75.7 -18.72 59.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.825 0.738 . . . . 0.0 112.386 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 144.78 29.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.432 1.093 . . . . 0.0 110.382 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 p -84.32 171.93 12.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.637 1.175 . . . . 0.0 110.091 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.33 -41.87 76.76 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.434 -0.791 . . . . 0.0 111.402 178.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -55.73 -52.25 64.54 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 121.592 0.711 . . . . 0.0 109.607 178.319 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.54 -41.51 90.23 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.164 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD13 ' SD ' ' A' ' 41' ' ' MET . 0.8 OUTLIER -59.0 -53.95 52.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.6 0.636 . . . . 0.0 109.985 -179.508 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -54.9 -45.58 74.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.616 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.78 85.24 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.58 -0.724 . . . . 0.0 112.362 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -51.29 67.7 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.7 50.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.063 178.385 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -53.7 -55.34 27.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -53.09 -58.42 7.07 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.515 0.726 . . . . 0.0 110.859 -179.077 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtm -55.92 -36.59 67.88 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 123.65 0.78 . . . . 0.0 111.129 -179.185 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -63.77 -7.31 7.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.955 179.036 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -100.74 -4.93 27.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.675 1.125 . . . . 0.0 111.493 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.426 -1.65 0 C-N-CA 124.787 1.235 . . . . 0.0 111.519 -177.094 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.29 0 N-CA-C 114.56 0.584 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.74 60.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.832 1.316 . . . . 0.0 111.188 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.96 86.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.937 0.895 . . . . 0.0 111.167 178.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.32 -50.36 60.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.907 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.69 -45.08 19.2 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.744 0.818 . . . . 0.0 112.787 -176.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -43.91 -36.62 2.48 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.374 1.07 . . . . 0.0 113.266 179.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -78.98 -46.04 19.06 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.922 0.867 . . . . 0.0 110.021 176.089 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.38 -32.92 27.71 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.914 2.886 . . . . 0.0 111.261 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -44.06 -38.0 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.522 1.129 . . . . 0.0 110.103 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.3 -34.61 4.7 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.354 178.76 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' HB1' ' A' ' 22' ' ' ALA . 6.3 t -116.07 -30.59 5.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.081 0.94 . . . . 0.0 111.941 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -94.21 -12.14 28.86 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -175.458 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.96 -167.87 50.82 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 177.141 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.81 -85.43 0.06 Allowed 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 122.266 -0.549 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -81.41 52.43 1.85 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 126.086 1.754 . . . . 0.0 111.359 -176.838 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.55 4.49 0.01 OUTLIER Glycine 0 CA--C 1.54 1.617 0 C-N-CA 129.309 3.338 . . . . 0.0 119.375 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.7 m -84.66 49.47 1.71 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 126.698 1.999 . . . . 0.0 110.758 -175.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 2.2 pttp -80.15 169.34 17.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -175.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 84.22 2.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 101.877 -3.379 . . . . 0.0 101.877 169.292 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.606 ' HB1' ' SG ' ' A' ' 13' ' ' CYS . . . -65.58 -175.13 0.24 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.023 1.329 . . . . 0.0 111.529 -175.846 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 58.0 mtt -64.63 87.06 0.05 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.14 0.882 . . . . 0.0 109.571 176.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.17 144.77 16.53 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.523 2.011 . . . . 0.0 108.364 -174.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 t -50.66 139.53 16.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.762 0.781 . . . . 0.0 110.933 -179.308 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.31 158.58 27.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.365 0.666 . . . . 0.0 109.906 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -59.1 117.8 24.62 Favored Pre-proline 0 N--CA 1.438 -1.03 0 C-N-CA 125.615 1.566 . . . . 0.0 109.42 177.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.57 146.81 94.16 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.232 1.288 . . . . 0.0 110.251 176.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.17 -32.3 19.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.463 -177.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -23.17 96.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.752 2.021 . . . . 0.0 112.354 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.99 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.886 2.184 . . . . 0.0 115.378 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -53.48 -56.97 12.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.854 1.827 . . . . 0.0 109.732 177.494 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 147.02 4.77 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 112.561 -2.109 . . . . 0.0 109.715 175.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.58 88.99 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 118.838 1.319 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.78 -50.59 70.42 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -47.62 -57.52 5.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.841 1.257 . . . . 0.0 109.412 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.6 mt -60.04 -53.34 58.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.485 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -44.59 -58.3 3.1 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.25 1.02 . . . . 0.0 111.261 178.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -50.97 -48.17 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.613 178.504 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.36 -44.95 86.05 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.765 178.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mmm -54.08 -48.52 70.57 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.873 2.124 . . . . 0.0 109.207 176.13 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -58.45 -48.58 80.26 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.03 -49.75 35.33 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 125.652 1.596 . . . . 0.0 111.436 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' THR . 39.4 m-85 -64.28 -62.28 1.71 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.62 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.71 -48.55 20.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.859 1.264 . . . . 0.0 113.872 -176.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -78.11 0.39 24.97 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.767 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.31 43.28 46.99 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.827 0.727 . . . . 0.0 113.331 176.867 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -115.19 -59.14 2.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.896 0.848 . . . . 0.0 108.893 175.63 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -76.7 57.37 1.26 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.648 0.779 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.04 46.92 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 120.967 -1.083 . . . . 0.0 112.501 -178.215 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.64 -56.01 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -179.046 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -84.8 -127.63 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.059 0.944 . . . . 0.0 108.935 -178.466 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -48.54 -36.4 15.34 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.079 1.308 . . . . 0.0 111.496 177.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.08 -26.17 1.73 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.979 2.112 . . . . 0.0 112.181 177.457 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.52 79.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 111.869 176.269 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.58 -55.03 31.01 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.928 0.87 . . . . 0.0 108.999 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ttp -54.15 -44.81 71.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.639 1.176 . . . . 0.0 109.523 177.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 44' ' ' TYR . 32.6 m -54.32 -54.11 44.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.984 0.914 . . . . 0.0 108.912 176.189 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.68 76.63 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.478 0.581 . . . . 0.0 110.273 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.11 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.111 0.414 . . . . 0.0 110.629 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.57 -33.23 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.933 -0.48 . . . . 0.0 111.689 -177.758 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.88 -24.12 65.71 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.269 -0.895 . . . . 0.0 111.482 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -78.33 -5.21 51.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.586 0.63 . . . . 0.0 111.796 177.74 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.46 -167.69 1.44 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.838 1.255 . . . . 0.0 110.516 177.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -147.63 161.08 41.88 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -37.3 -53.79 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.918 -175.079 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -50.68 -51.44 49.37 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 123.921 0.889 . . . . 0.0 109.75 178.48 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.383 -176.75 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.55 -54.28 45.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.056 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -57.26 -46.36 83.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.12 80.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.329 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.93 -52.92 57.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.33 54.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.247 0.342 . . . . 0.0 110.682 178.267 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.21 -56.93 15.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.578 0.351 . . . . 0.0 111.306 178.047 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -56.22 -54.3 46.85 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.522 0.677 . . . . 0.0 110.791 -177.546 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.51 -30.38 68.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.321 1.048 . . . . 0.0 112.42 177.724 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -77.97 8.25 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.531 -0.731 . . . . 0.0 111.516 174.036 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -137.07 40.52 2.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.399 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -175.489 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 CA-C-O 119.659 -0.523 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.92 51.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.08 0.94 . . . . 0.0 111.035 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.03 -47.55 68.29 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.642 0.377 . . . . 0.0 110.166 178.577 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.41 -53.72 54.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.258 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -50.69 -36.16 34.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.239 1.015 . . . . 0.0 113.293 -176.637 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -45.79 -41.36 10.81 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.412 0.551 . . . . 0.0 111.411 177.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.16 -39.08 85.13 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 111.638 179.269 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.34 -29.11 53.31 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.603 1.961 . . . . 0.0 111.71 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.1 mt -45.5 -39.1 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 123.639 0.776 . . . . 0.0 110.006 177.271 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.87 -35.96 6.41 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.141 0.876 . . . . 0.0 113.553 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.558 ' SG ' ' HB1' ' A' ' 22' ' ' ALA . 21.7 t -110.12 -33.42 6.68 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 118.352 1.076 . . . . 0.0 112.122 -179.079 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 29' ' ' VAL . 57.9 m-70 -93.27 -32.32 14.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -174.124 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.67 162.83 36.77 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.63 -58.53 5.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.155 0.582 . . . . 0.0 111.027 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.66 32.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 112.49 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 31.06 60.81 0.24 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 126.964 2.221 . . . . 0.0 114.38 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.0 m -142.01 -9.56 0.89 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.032 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -72.55 160.86 31.58 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 120.975 1.716 . . . . 0.0 110.976 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 91.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.4 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB1' ' SG ' ' A' ' 13' ' ' CYS . . . -56.05 168.03 0.54 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.716 0.806 . . . . 0.0 110.188 174.393 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 mtt -56.18 122.02 10.79 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.506 -178.792 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.53 73.13 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.384 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 65.93 165.67 0.19 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 0.0 113.563 178.273 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.98 157.06 6.41 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.409 1.084 . . . . 0.0 109.42 -178.585 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -64.54 146.09 98.3 Favored Pre-proline 0 C--N 1.342 0.271 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 169.283 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.2 141.45 57.17 Favored 'Trans proline' 0 N--CA 1.439 -1.712 0 N-CA-C 108.077 -1.547 . . . . 0.0 108.077 176.348 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 14' ' ' HIS . 11.0 t -80.85 -27.89 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.786 1.234 . . . . 0.0 108.587 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -27.64 95.66 0.01 OUTLIER 'General case' 0 C--N 1.343 0.297 0 C-N-CA 127.754 2.422 . . . . 0.0 111.015 177.317 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 35.71 52.51 1.11 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 127.05 2.262 . . . . 0.0 115.501 -179.243 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -50.6 -54.01 26.07 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 123.367 1.556 . . . . 0.0 109.157 176.131 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.89 150.4 5.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 128.103 2.764 . . . . 0.0 109.132 173.384 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.66 99.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.925 0.862 . . . . 0.0 111.77 -178.289 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -59.69 -55.35 35.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -49.57 -60.83 2.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.42 1.488 . . . . 0.0 109.312 177.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.8 mt -56.73 -44.46 81.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.706 1.202 . . . . 0.0 111.222 -177.617 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.44 -55.37 35.91 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.209 0.913 . . . . 0.0 109.885 178.67 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -53.7 -55.53 25.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.85 -49.82 76.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.354 1.062 . . . . 0.0 111.614 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.403 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.3 ppp? -65.88 -37.04 85.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 110.96 -178.373 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.63 -42.93 98.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 172.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.19 -51.03 49.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 176.558 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.68 -55.77 30.82 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.894 0.878 . . . . 0.0 109.571 176.376 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 61' ' ' VAL . . . -52.83 -45.82 67.47 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.413 0.685 . . . . 0.0 111.779 -179.135 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.86 -41.47 95.64 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.716 0.807 . . . . 0.0 109.873 177.264 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 17.9 17.91 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.788 1.185 . . . . 0.0 111.542 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.53 -57.99 2.74 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.012 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -75.68 69.07 2.35 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.421 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.51 -174.48 33.41 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 119.278 0.945 . . . . 0.0 112.537 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.63 162.96 10.15 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.323 1.916 . . . . 0.0 108.965 -176.669 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 49.32 -131.89 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.391 1.077 . . . . 0.0 109.947 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -52.41 -31.85 36.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 126.95 2.1 . . . . 0.0 111.932 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.8 -10.1 25.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.167 0.587 . . . . 0.0 111.076 -175.72 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.71 82.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.746 0.703 . . . . 0.0 109.938 171.756 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttm -61.36 -56.65 17.96 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.064 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.9 ttp -53.01 -48.84 67.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.29 1.436 . . . . 0.0 109.254 178.477 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 m -50.52 -57.67 7.56 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.694 1.198 . . . . 0.0 109.516 176.629 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -40.71 86.7 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.547 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -57.88 11.0 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.304 0.502 . . . . 0.0 110.551 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 57' ' ' MET . 15.3 m -67.12 -25.17 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.514 -0.741 . . . . 0.0 112.206 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -54.76 -30.44 56.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.688 1.131 . . . . 0.0 109.863 176.192 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -69.16 -19.47 64.01 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.15 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.78 139.48 31.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.38 1.072 . . . . 0.0 111.784 -175.667 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.1 t -87.84 168.27 13.07 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.066 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -47.8 -45.79 29.94 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.038 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -54.28 -50.45 67.24 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.584 1.153 . . . . 0.0 110.581 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -64.99 -48.01 75.51 Favored 'General case' 0 N--CA 1.426 -1.628 0 C-N-CA 124.935 1.294 . . . . 0.0 109.569 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD22 ' SD ' ' A' ' 41' ' ' MET . 95.1 mt -51.76 -56.16 15.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.972 0.909 . . . . 0.0 109.575 178.051 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -53.88 -51.0 65.06 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.207 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.97 73.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -45.5 77.22 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.24 49.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.412 0.285 . . . . 0.0 110.35 176.187 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -51.83 -46.03 64.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.188 0.595 . . . . 0.0 110.575 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.88 -60.71 3.36 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.832 -0.542 . . . . 0.0 109.958 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.5 mtm -52.49 -30.23 29.02 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.734 0.813 . . . . 0.0 112.321 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -66.41 -18.2 65.22 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -131.87 57.72 1.76 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -177.469 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 26.5 tp . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -172.573 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.165 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 -64.44 0.95 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -175.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.5 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 123.224 0.61 . . . . 0.0 112.502 -177.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.53 -57.91 3.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 175.318 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -52.77 -27.03 16.09 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.561 1.544 . . . . 0.0 114.532 -175.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -54.67 -29.0 51.48 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.853 0.751 . . . . 0.0 110.726 176.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.6 2.39 33.53 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 -178.583 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -124.81 -37.54 2.46 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.3 1.44 . . . . 0.0 111.092 -173.645 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.4 pt -45.22 -37.73 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.412 178.454 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.98 -35.08 17.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.552 0.596 . . . . 0.0 112.319 179.303 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -109.95 -30.07 7.97 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 117.702 0.751 . . . . 0.0 111.999 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CE1' HG23 ' A' ' 29' ' ' VAL . 35.4 m-70 -87.74 -23.96 23.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -176.585 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 175.13 37.75 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.27 20.79 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.549 1.14 . . . . 0.0 113.033 -176.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.25 69.45 1.46 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -177.121 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.42 35.2 2.7 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.473 1.511 . . . . 0.0 112.199 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.13 -39.77 22.82 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.164 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -97.28 152.04 19.27 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -173.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.18 92.38 0.55 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.083 0.953 . . . . 0.0 108.561 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.31 142.82 5.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.649 0.78 . . . . 0.0 111.176 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.3 mtt 50.92 21.05 0.88 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.755 1.222 . . . . 0.0 112.644 -173.576 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.25 18.99 56.74 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.264 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -171.57 80.78 0.07 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.649 1.224 . . . . 0.0 108.376 -177.623 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -168.92 151.54 4.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -67.8 120.93 77.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 171.317 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.58 140.61 75.53 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 N-CA-C 108.631 -1.334 . . . . 0.0 108.631 176.282 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 14' ' ' HIS . 2.0 t -52.28 -45.1 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.655 -178.551 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 5.13 65.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 129.151 2.981 . . . . 0.0 113.399 -177.198 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.96 57.14 2.06 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.412 1.958 . . . . 0.0 115.014 -178.069 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -37.79 -59.08 0.85 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.823 1.297 . . . . 0.0 111.697 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.79 148.09 5.86 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 127.561 2.505 . . . . 0.0 107.102 177.328 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.908 1.854 . . . . 0.0 111.779 -177.084 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.58 -54.88 41.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.985 0.514 . . . . 0.0 109.71 178.569 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -49.29 -60.87 2.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.164 1.386 . . . . 0.0 109.032 178.274 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.36 -61.0 2.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.844 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -45.48 -52.87 9.65 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.108 0.867 . . . . 0.0 112.187 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.85 -41.38 82.25 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.25 0.22 . . . . 0.0 110.864 178.631 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -72.41 -45.71 58.45 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.3 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.47 92.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 121.918 2.145 . . . . 0.0 109.366 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -60.01 -42.3 94.0 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.31 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.35 -62.07 2.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 127.321 2.391 . . . . 0.0 110.101 173.565 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 22.9 m-85 -61.04 -48.47 81.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 113.96 -1.12 . . . . 0.0 110.371 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.11 73.9 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.675 0.67 . . . . 0.0 111.489 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.72 -32.64 63.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.238 0.615 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.3 -9.52 69.6 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.839 0.733 . . . . 0.0 112.07 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -65.36 -54.65 25.73 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.18 0.992 . . . . 0.0 108.826 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 17.9 t80 -64.96 -29.4 70.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.467 1.127 . . . . 0.0 112.191 178.236 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.83 62.98 0.91 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 127.152 2.311 . . . . 0.0 114.516 -177.583 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.96 118.9 12.04 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.879 1.228 . . . . 0.0 112.005 178.823 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 35.93 -92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.679 2.392 . . . . 0.0 113.791 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -49.24 -37.56 23.75 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 124.472 1.109 . . . . 0.0 111.95 -178.438 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -71.51 -6.86 43.69 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.696 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.97 -38.42 62.11 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.526 0.731 . . . . 0.0 111.1 176.607 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.2 ttm -56.22 -49.2 74.79 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.097 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttm -61.36 -46.46 90.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.208 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -49.14 -55.28 12.83 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.26 0.624 . . . . 0.0 109.594 175.126 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -37.86 87.22 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.286 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.47 -56.21 22.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.414 0.552 . . . . 0.0 110.243 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.87 -28.74 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.505 -0.747 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.03 -22.18 60.27 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.715 0.689 . . . . 0.0 110.971 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -66.6 -21.6 66.13 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.111 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.77 163.98 12.95 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.047 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -113.98 167.81 10.34 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.457 1.103 . . . . 0.0 109.855 179.063 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -44.74 -47.08 10.75 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.12 0.968 . . . . 0.0 113.332 -175.917 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.9 -46.99 78.24 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.55 0.69 . . . . 0.0 110.935 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.32 -51.22 68.53 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.219 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -49.06 -52.16 27.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.043 0.537 . . . . 0.0 110.839 178.849 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -57.97 -49.06 78.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.082 0.468 . . . . 0.0 109.773 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.88 70.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.54 -48.98 52.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -178.513 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -56.41 16.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.08 173.153 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -54.19 -47.27 72.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.725 0.41 . . . . 0.0 111.698 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.09 -58.35 9.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.443 0.697 . . . . 0.0 109.976 178.5 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.7 mtm -56.96 -30.91 64.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -177.822 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 m -54.58 -18.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.155 0.889 . . . . 0.0 113.141 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -93.49 1.6 56.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.702 -178.213 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.429 -1.512 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.074 -177.371 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 115.022 0.769 . . . . 0.0 115.022 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.83 -37.75 44.81 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.061 0.931 . . . . 0.0 111.676 177.552 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -53.38 24.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.416 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.8 -40.28 41.09 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.103 1.361 . . . . 0.0 112.002 -177.157 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -38.94 -39.75 0.57 Allowed 'General case' 0 C--N 1.339 0.11 0 C-N-CA 125.642 1.577 . . . . 0.0 112.854 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -37.12 4.19 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.169 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -69.09 -21.62 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.689 1.196 . . . . 0.0 113.153 -178.49 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.4 -16.57 27.18 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.166 1.787 . . . . 0.0 111.981 -175.734 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -52.2 159.03 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.142 0.977 . . . . 0.0 108.964 175.598 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.38 -56.42 4.51 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -176.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.78 -46.57 16.74 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.312 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -97.58 -6.37 33.56 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.01 170.41 13.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 121.273 -0.892 . . . . 0.0 111.911 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.64 73.41 2.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.498 0.719 . . . . 0.0 109.647 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t0 72.39 97.58 0.07 Allowed 'General case' 0 C--N 1.338 0.066 0 C-N-CA 126.746 2.019 . . . . 0.0 110.611 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.71 -32.86 0.17 Allowed Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.972 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t 61.98 56.44 2.32 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.069 1.748 . . . . 0.0 111.071 -177.231 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -57.7 164.7 1.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.255 175.084 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.13 110.36 0.92 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.641 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.04 -129.08 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.988 0.915 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mtp -75.64 68.95 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.419 -0.801 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.35 -178.7 17.16 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.974 1.75 . . . . 0.0 109.864 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -72.23 62.11 0.48 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.398 1.479 . . . . 0.0 110.962 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 136.6 57.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.497 -177.068 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -54.99 134.0 67.55 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 171.004 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.25 122.73 10.04 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.1 -43.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 175.201 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -47.43 108.33 0.15 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.924 0.889 . . . . 0.0 109.403 177.134 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.0 7.02 83.8 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 117.03 -1.983 . . . . 0.0 116.787 173.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 7.6 pt20 -74.24 -175.56 2.32 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.041 2.92 . . . . 0.0 107.412 172.552 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.68 132.33 11.31 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 119.928 -1.732 . . . . 0.0 114.379 -169.287 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -45.88 10.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.101 1.36 . . . . 0.0 112.086 174.634 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.53 -52.41 65.68 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 123.784 0.834 . . . . 0.0 110.162 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.98 -55.93 22.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.406 1.082 . . . . 0.0 108.373 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.13 -46.73 79.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.84 1.256 . . . . 0.0 111.663 -178.304 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.69 -57.64 12.04 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.193 0.906 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -56.27 -49.5 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.006 -178.531 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.03 -40.58 78.53 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.499 0.72 . . . . 0.0 111.837 -178.744 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' ' 69' ' ' LEU . 3.2 ppp? -65.78 -40.05 91.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.146 0.885 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -60.28 -50.94 71.66 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 172.002 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.96 -43.98 61.64 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.827 0.727 . . . . 0.0 111.787 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.05 -53.12 60.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.268 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.92 63.11 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.822 0.737 . . . . 0.0 111.241 177.697 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -69.64 -14.31 62.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.664 1.186 . . . . 0.0 111.908 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.47 73.01 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.372 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 p -103.16 -55.5 2.4 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.913 0.885 . . . . 0.0 108.807 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -75.2 64.31 1.43 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.103 0.561 . . . . 0.0 109.853 179.45 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.63 -171.28 39.25 Favored Glycine 0 CA--C 1.523 0.572 0 O-C-N 121.067 -1.021 . . . . 0.0 112.429 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.0 165.76 36.02 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 29.92 -98.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.648 2.379 . . . . 0.0 113.435 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -44.77 -37.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.602 1.961 . . . . 0.0 113.832 -178.811 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -66.56 -24.93 66.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.309 0.644 . . . . 0.0 112.297 -177.244 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.91 -45.65 2.59 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.496 1.118 . . . . 0.0 113.401 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.16 -52.17 66.66 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.192 0.52 . . . . 0.0 109.962 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 ttp -59.11 -49.33 78.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 m -47.19 -53.93 11.94 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.434 1.093 . . . . 0.0 110.096 176.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -42.83 99.49 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.768 179.473 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.65 87.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.915 0.325 . . . . 0.0 111.415 -178.477 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.43 -40.65 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -59.25 -10.45 2.95 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.607 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -56.11 -36.73 68.5 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.145 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.31 150.91 43.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.417 1.487 . . . . 0.0 111.601 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -82.49 -84.44 0.12 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.432 1.493 . . . . 0.0 112.509 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -155.48 -53.49 0.09 Allowed 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 125.862 1.665 . . . . 0.0 108.881 179.309 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -48.09 -51.4 24.7 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 173.571 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.79 -49.85 75.81 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 126.147 1.779 . . . . 0.0 111.93 179.063 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD22 ' SD ' ' A' ' 41' ' ' MET . 66.6 mt -53.44 -53.69 47.76 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.47 0.708 . . . . 0.0 109.438 179.654 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -59.31 -44.56 92.56 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 124.357 1.063 . . . . 0.0 110.176 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.6 78.67 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.648 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.13 -49.28 70.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.389 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.83 -54.36 39.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.081 0.238 . . . . 0.0 111.346 176.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.03 -53.84 47.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.593 0.357 . . . . 0.0 110.948 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.5 -60.32 3.37 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.395 0.678 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.7 mtm -57.76 -30.07 65.32 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.823 0.849 . . . . 0.0 112.458 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -72.03 -14.5 61.89 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.742 -0.599 . . . . 0.0 112.2 176.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -128.21 54.82 1.71 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -176.522 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.433 -1.317 0 C-N-CA 125.858 1.663 . . . . 0.0 108.36 -171.645 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.84 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.01 -48.24 61.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.336 1.454 . . . . 0.0 111.409 -178.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.07 -43.13 60.96 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.647 0.779 . . . . 0.0 111.3 179.057 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.9 -44.84 60.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -51.1 -41.24 59.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.287 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -39.81 -51.92 2.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.158 0.583 . . . . 0.0 112.513 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -46.0 83.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.05 0.94 . . . . 0.0 112.127 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -59.54 -29.41 67.88 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.662 1.985 . . . . 0.0 111.164 -174.553 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -47.36 -35.61 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.705 0.802 . . . . 0.0 110.492 178.306 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.83 -34.8 11.47 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.48 -0.622 . . . . 0.0 113.252 178.63 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -112.57 -33.4 6.16 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.72 0.808 . . . . 0.0 111.767 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -87.25 -28.83 22.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -175.429 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.48 159.46 28.17 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -173.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.19 -58.8 5.18 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.236 0.614 . . . . 0.0 111.242 -177.091 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -90.14 33.98 0.87 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.301 1.04 . . . . 0.0 112.356 -179.098 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.76 32.82 6.07 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.555 1.074 . . . . 0.0 114.255 177.776 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -68.08 -43.33 78.8 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.959 1.704 . . . . 0.0 110.77 -177.798 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt 48.36 -177.7 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 129.41 3.084 . . . . 0.0 117.772 175.893 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.16 37.22 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.206 3.802 . . . . 0.0 104.78 169.346 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.05 133.0 54.74 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.204 -174.795 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.1 mtt 44.5 46.35 8.04 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 124.131 0.895 . . . . 0.0 110.087 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.69 4.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -156.3 137.76 13.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.839 -0.8 . . . . 0.0 109.376 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.27 166.87 28.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.754 1.221 . . . . 0.0 108.326 -178.359 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.84 110.7 2.1 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 125.342 1.457 . . . . 0.0 108.067 177.795 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.81 137.16 74.9 Favored 'Trans proline' 0 N--CA 1.443 -1.491 0 CA-C-N 120.008 1.039 . . . . 0.0 110.052 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.28 -35.21 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -30.95 100.93 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 126.832 2.053 . . . . 0.0 111.134 175.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 47.95 26.36 4.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.467 1.508 . . . . 0.0 116.199 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.295 1.7 pt20 -71.12 161.59 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.847 2.323 . . . . 0.0 105.226 172.224 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 141.21 37.97 Favored Glycine 0 C--O 1.223 -0.593 0 O-C-N 120.485 -1.384 . . . . 0.0 113.923 -168.819 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.92 58.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.153 0.981 . . . . 0.0 110.117 174.26 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -57.47 -59.06 5.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.009 176.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -53.45 -58.61 6.54 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 125.622 1.569 . . . . 0.0 108.957 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -51.22 -53.18 37.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.109 0.964 . . . . 0.0 111.124 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.58 -52.69 64.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 117.614 0.188 . . . . 0.0 110.504 -179.389 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.47 -50.7 70.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.755 0.312 . . . . 0.0 111.579 -177.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -63.68 -46.06 87.27 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.45 0.7 . . . . 0.0 111.242 -178.833 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.447 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.6 ppp? -64.72 -41.81 95.7 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 122.079 -0.388 . . . . 0.0 110.335 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -61.54 -41.86 97.97 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.578 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.61 -53.46 20.95 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 126.306 1.908 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -62.18 -56.1 22.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.756 0.422 . . . . 0.0 110.312 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.71 -50.62 32.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.93 0.492 . . . . 0.0 111.741 -178.054 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.36 -55.47 11.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.454 1.102 . . . . 0.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.39 30.4 1.56 Allowed Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.658 1.599 . . . . 0.0 111.688 -178.085 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -2.74 28.74 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.826 1.651 . . . . 0.0 110.6 177.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -143.93 161.61 38.28 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.833 0.742 . . . . 0.0 110.613 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.23 109.68 1.38 Allowed Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.632 -1.787 . . . . 0.0 108.632 -176.581 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.15 -49.54 18.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.312 0.958 . . . . 0.0 111.602 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.04 35.34 4.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.472 1.509 . . . . 0.0 108.618 175.033 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 70.82 -33.12 0.26 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 128.268 2.627 . . . . 0.0 114.355 178.244 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.32 55.4 mttm 72.18 42.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.059 1.344 . . . . 0.0 109.451 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.24 -66.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 129.827 3.251 . . . . 0.0 116.888 -176.418 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -57.57 -50.43 73.14 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.85 0.834 . . . . 0.0 110.32 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 ttp -62.6 -42.39 99.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.95 -52.09 59.22 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 118.062 0.392 . . . . 0.0 109.998 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -57.49 -44.17 84.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.03 0.532 . . . . 0.0 109.595 -179.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.3 36.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.7 m -66.19 -36.97 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.765 -178.781 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.55 -30.25 69.66 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.383 -0.823 . . . . 0.0 111.324 -178.866 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -78.15 -9.21 59.07 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.057 0.543 . . . . 0.0 111.965 177.274 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.57 129.98 34.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.617 1.167 . . . . 0.0 108.485 179.165 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -74.81 168.69 19.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.003 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -45.12 -48.12 12.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.784 0.72 . . . . 0.0 112.896 -178.133 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.7 -47.59 81.94 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 123.88 0.872 . . . . 0.0 110.972 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -64.2 -40.29 95.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.818 -0.61 . . . . 0.0 110.849 177.756 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD22 ' SD ' ' A' ' 41' ' ' MET . 94.4 mt -54.51 -53.6 52.27 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.008 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -60.28 -49.37 77.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.334 0.653 . . . . 0.0 110.352 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -51.78 66.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.51 -52.85 60.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.412 0.285 . . . . 0.0 111.573 176.767 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -51.61 -49.9 61.27 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.356 -0.215 . . . . 0.0 111.258 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -60.56 -53.5 56.72 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.369 0.668 . . . . 0.0 111.038 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.1 mtm -57.67 -32.98 67.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 124.322 1.049 . . . . 0.0 111.95 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -78.66 10.55 3.16 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.712 -0.617 . . . . 0.0 111.572 176.072 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -141.78 41.81 1.7 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.533 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 79' ' ' LEU . 5.1 mt . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 -177.08 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.798 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -51.33 69.27 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.711 0.755 . . . . 0.0 111.416 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.34 92.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.144 0.177 . . . . 0.0 110.962 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.61 -50.17 70.44 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.816 0.446 . . . . 0.0 111.439 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -41.0 -41.71 1.72 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 126.198 1.799 . . . . 0.0 113.717 -175.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -43.5 -41.78 4.56 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.537 1.535 . . . . 0.0 112.347 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -69.18 -18.07 63.88 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -88.38 -22.37 23.81 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.226 1.81 . . . . 0.0 111.207 -177.022 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.75 148.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.94 1.27 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -175.066 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.75 -42.27 10.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.764 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CE1' HG21 ' A' ' 29' ' ' VAL . 95.9 m-70 -102.31 -14.01 17.12 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.743 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.26 -165.0 51.95 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -176.504 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -71.02 0.3 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.114 -0.639 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -84.03 49.17 1.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.355 1.062 . . . . 0.0 112.316 -174.311 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.65 35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.088 0 C-N-CA 128.459 2.933 . . . . 0.0 114.847 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -90.76 -49.32 6.52 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.866 2.066 . . . . 0.0 112.31 -169.833 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -52.53 123.27 10.63 Favored 'General case' 0 N--CA 1.424 -1.773 0 C-N-CA 124.351 1.061 . . . . 0.0 110.188 -178.061 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.59 48.77 0.47 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.594 1.557 . . . . 0.0 111.542 -177.768 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 56.48 -168.47 0.1 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.63 1.172 . . . . 0.0 110.466 -176.194 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.17 60.29 4.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.47 -109.08 0.31 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 m -153.05 54.84 0.77 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.588 0.694 . . . . 0.0 110.417 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.05 160.89 24.4 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.604 1.162 . . . . 0.0 110.201 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -62.55 128.98 92.32 Favored Pre-proline 0 C--O 1.233 0.211 0 O-C-N 121.118 -0.988 . . . . 0.0 109.146 178.393 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.65 147.95 67.65 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 174.252 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG21 ' CE1' ' A' ' 14' ' ' HIS . 16.1 t -93.01 -37.11 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.508 0.723 . . . . 0.0 110.201 -173.468 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -35.74 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.126 1.77 . . . . 0.0 110.988 178.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.44 39.05 95.74 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 117.21 -1.884 . . . . 0.0 116.911 176.52 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.01 -49.61 73.16 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 121.465 2.633 . . . . 0.0 107.506 170.954 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.6 141.61 3.45 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 128.412 2.91 . . . . 0.0 110.009 171.665 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -41.74 6.94 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.368 1.067 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -62.13 -53.39 56.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.137 0.975 . . . . 0.0 110.217 179.045 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.76 -58.36 8.71 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.101 1.36 . . . . 0.0 108.401 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -53.26 -47.71 68.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.688 1.595 . . . . 0.0 110.633 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.57 -50.48 73.63 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.733 0.697 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.22 -54.69 44.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.084 0.469 . . . . 0.0 110.992 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.88 -49.77 76.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 124.8 1.24 . . . . 0.0 111.703 -178.5 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 -179.287 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.76 -41.39 99.19 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.463 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.94 -51.11 30.7 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 125.68 1.61 . . . . 0.0 110.18 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 54' ' ' LYS . 19.2 m-85 -72.18 -37.74 69.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.986 178.314 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.64 89.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.667 1.121 . . . . 0.0 110.304 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.07 -42.64 75.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.452 0.701 . . . . 0.0 109.601 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 27.12 7.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.965 1.269 . . . . 0.0 111.763 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.75 -47.44 7.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 109.26 178.296 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -76.62 153.57 35.15 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.97 163.13 15.61 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 126.396 1.95 . . . . 0.0 110.508 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.42 -80.57 1.33 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 105.487 -3.045 . . . . 0.0 105.487 174.915 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -79.52 37.98 0.36 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 109.861 173.478 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -32.53 0.21 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 129.282 3.033 . . . . 0.0 117.054 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 44' ' ' TYR 0.256 26.6 mttm 75.41 36.76 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 127.425 2.29 . . . . 0.0 109.357 -175.002 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -19.95 -64.06 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 129.384 3.073 . . . . 0.0 116.292 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.9 tpp -52.88 -54.29 36.73 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.292 0.567 . . . . 0.0 109.76 -179.533 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.1 ttp -61.23 -48.72 80.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.33 -0.843 . . . . 0.0 108.728 177.766 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -46.51 -58.85 3.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.507 0.723 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -40.61 87.08 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.77 -0.581 . . . . 0.0 111.234 -178.158 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.46 80.63 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.342 0.519 . . . . 0.0 110.286 -177.473 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.62 -30.59 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.693 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -51.64 -25.9 7.99 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.998 0.817 . . . . 0.0 112.947 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.19 -23.43 66.61 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 121.68 -0.637 . . . . 0.0 111.999 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 116.17 8.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.576 1.15 . . . . 0.0 110.218 178.032 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -68.72 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -175.058 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -158.73 -59.9 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.732 0.813 . . . . 0.0 110.307 -177.205 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.32 -48.37 46.42 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.953 1.358 . . . . 0.0 107.714 174.026 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -53.72 -55.57 25.07 Favored 'General case' 0 N--CA 1.422 -1.835 0 C-N-CA 129.409 3.084 . . . . 0.0 109.985 176.517 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.7 mt -53.11 -56.08 19.04 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.102 0.477 . . . . 0.0 110.602 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -57.86 -52.57 64.93 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.303 0.573 . . . . 0.0 110.426 -179.104 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.58 71.23 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.94 -43.96 70.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.58 64.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.181 174.783 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.52 -49.04 65.61 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.471 0.308 . . . . 0.0 110.226 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -55.16 -59.91 4.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.881 0.872 . . . . 0.0 110.006 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.9 mtm -59.09 -25.63 63.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -78.77 -2.37 39.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.389 176.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -143.19 55.96 1.38 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.254 1.332 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 -172.915 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.52 0.568 . . . . 0.0 114.52 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.07 -35.04 59.11 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.571 1.185 . . . . 0.0 112.034 178.532 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.61 -53.31 23.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.43 -49.73 61.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.021 1.329 . . . . 0.0 110.65 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.28 -32.17 6.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.111 0.964 . . . . 0.0 113.568 -176.448 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.33 -28.87 45.49 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.324 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -74.82 -24.24 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.637 0.653 . . . . 0.0 112.272 177.596 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -82.32 -34.16 28.66 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.231 1.812 . . . . 0.0 110.069 -178.257 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.58 138.34 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.564 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -41.3 2.24 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 107.019 -2.432 . . . . 0.0 107.019 -173.322 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 t -102.0 -37.73 8.07 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.262 1.031 . . . . 0.0 109.662 175.869 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CE1' HG21 ' A' ' 29' ' ' VAL . 59.6 m-70 -98.47 -6.3 30.65 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -176.358 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.9 175.62 42.12 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -173.632 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.23 49.67 1.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.981 -1.305 . . . . 0.0 111.086 -179.217 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -178.17 -54.55 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.104 0.961 . . . . 0.0 112.615 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.94 46.01 0.16 Allowed Glycine 0 C--N 1.334 0.465 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -175.175 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 p -103.67 -66.99 0.91 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -171.824 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -61.9 166.63 4.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.306 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 72.41 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.859 2.064 . . . . 0.0 112.892 -176.934 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 117.96 4.23 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.345 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.7 mmt 64.12 -64.17 0.14 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.401 1.88 . . . . 0.0 110.91 -168.712 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.91 1.58 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.347 -1.901 . . . . 0.0 108.347 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -71.82 52.91 0.23 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.146 1.378 . . . . 0.0 113.804 -178.159 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.77 33.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.646 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -59.46 124.17 74.1 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.351 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -55.93 142.41 84.69 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 N-CA-C 108.842 -1.253 . . . . 0.0 108.842 174.621 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 14' ' ' HIS . 6.1 t -92.81 -33.42 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.445 1.098 . . . . 0.0 110.328 -173.526 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -46.78 101.51 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.197 1.799 . . . . 0.0 109.158 177.424 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.46 94.04 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.937 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.08 -56.79 16.87 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 121.201 2.5 . . . . 0.0 107.608 172.118 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.57 140.23 3.06 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 128.237 2.827 . . . . 0.0 109.241 175.201 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.99 4.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.476 1.51 . . . . 0.0 113.133 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.53 -48.96 77.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.224 0.466 . . . . 0.0 110.42 -179.509 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -53.19 -52.85 57.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.503 1.121 . . . . 0.0 109.161 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.99 -65.72 0.6 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.516 1.127 . . . . 0.0 108.705 179.583 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.33 -58.45 0.83 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.684 1.594 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -49.32 -44.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 112.391 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -75.86 -45.74 34.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.222 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.75 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.889 1.677 . . . . 0.0 109.577 176.482 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.86 -42.9 84.88 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.874 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.32 -61.05 3.35 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 127.574 2.511 . . . . 0.0 110.707 174.283 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.16 -48.54 75.61 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -179.527 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.7 70.11 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.094 0.861 . . . . 0.0 111.815 179.047 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.73 -1.33 42.26 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.199 0.6 . . . . 0.0 111.225 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 40.95 92.82 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -176.616 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -138.94 31.91 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.037 0.935 . . . . 0.0 111.196 -177.019 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -153.09 151.1 29.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 176.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.94 123.48 2.79 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.237 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.33 -48.88 39.9 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 117.796 0.798 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.93 33.27 4.51 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.488 1.515 . . . . 0.0 108.743 175.716 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 65.46 -26.86 0.1 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 130.1 3.36 . . . . 0.0 117.867 176.429 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.292 38.6 mttm 72.16 41.54 0.63 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 125.834 1.654 . . . . 0.0 110.125 -177.307 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.08 -67.61 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.627 3.171 . . . . 0.0 117.111 -175.811 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -57.93 -48.71 79.12 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.758 -0.589 . . . . 0.0 110.324 -178.187 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.436 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -55.52 16.4 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 109.738 176.195 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -41.38 94.2 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.631 0.373 . . . . 0.0 110.514 -179.363 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.44 -55.05 39.76 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.73 -29.18 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.516 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -55.31 -32.21 62.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.043 0.838 . . . . 0.0 111.232 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.77 -21.15 63.45 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.94 0.496 . . . . 0.0 111.95 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.11 130.49 34.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.423 1.089 . . . . 0.0 111.275 -177.247 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 p -77.46 171.17 15.3 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 175.102 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -41.65 67.03 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.885 -1.135 . . . . 0.0 112.113 179.495 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.41 -57.86 6.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.333 1.063 . . . . 0.0 109.613 176.038 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -61.39 -49.95 74.81 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.119 1.367 . . . . 0.0 110.756 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.0 mt -53.37 -50.78 64.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.778 0.831 . . . . 0.0 110.245 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.01 -47.76 84.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.304 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.09 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.132 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.02 -51.15 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.61 -52.07 65.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.889 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -54.88 -48.03 73.52 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.03 0.532 . . . . 0.0 110.319 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -55.92 -57.46 12.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.594 0.758 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.4 mtm -61.49 -24.17 66.4 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.48 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 9.22 9.33 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.806 174.54 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -141.33 45.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -175.268 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 CA-C-O 119.85 -0.417 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -38.2 -52.48 1.46 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.834 2.054 . . . . 0.0 112.963 -177.513 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.58 41.66 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.453 1.101 . . . . 0.0 112.553 -179.504 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.3 mp -85.87 -52.55 5.67 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.7 1.2 . . . . 0.0 108.559 177.032 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -46.09 -40.89 11.51 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.732 1.613 . . . . 0.0 112.879 -176.788 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -18.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.638 1.175 . . . . 0.0 113.622 177.957 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -88.35 -48.6 7.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.425 1.09 . . . . 0.0 109.454 174.255 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 m -60.48 -30.64 69.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.225 1.81 . . . . 0.0 110.935 -175.454 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 pt -49.77 -27.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.761 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.33 -35.36 3.78 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.801 0.715 . . . . 0.0 111.886 176.885 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.6 m -114.05 -43.59 3.23 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.36 0.664 . . . . 0.0 109.995 176.2 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -73.81 -20.95 60.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -173.146 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.57 -177.51 43.72 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -178.888 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.59 -80.41 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.062 -0.67 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.73 51.68 2.08 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.731 1.212 . . . . 0.0 110.981 -175.286 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 0.92 0.01 OUTLIER Glycine 0 CA--C 1.54 1.621 0 C-N-CA 130.149 3.738 . . . . 0.0 119.716 175.907 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -79.18 48.43 0.87 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.937 1.869 . . . . 0.0 112.653 -173.604 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -75.3 169.32 18.29 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -178.742 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.7 68.28 1.07 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 172.099 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.82 -132.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.959 1.303 . . . . 0.0 111.522 -173.972 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptm -69.81 73.63 0.41 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.712 -0.618 . . . . 0.0 111.621 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.82 178.12 32.16 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.068 1.318 . . . . 0.0 110.706 -179.125 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -72.81 61.84 0.56 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.818 1.247 . . . . 0.0 111.655 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.79 150.2 36.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.452 1.101 . . . . 0.0 109.913 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -64.64 124.22 85.53 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.89 117.69 5.08 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.663 1.576 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.14 -40.91 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 C-N-CA 126.551 1.94 . . . . 0.0 113.913 178.402 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -25.94 89.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.599 2.76 . . . . 0.0 112.911 179.421 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.83 44.31 97.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 117.281 -1.844 . . . . 0.0 116.06 178.386 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.75 -53.29 57.05 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.19 2.495 . . . . 0.0 108.471 173.973 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.92 151.8 6.17 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 127.917 2.675 . . . . 0.0 108.402 176.324 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.13 90.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.539 1.669 . . . . 0.0 112.086 -177.124 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.72 -52.74 63.03 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -47.9 -62.08 1.64 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.805 1.642 . . . . 0.0 108.577 177.469 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.1 mt -53.81 -59.72 4.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.943 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -43.19 -53.61 4.95 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.367 1.067 . . . . 0.0 111.7 179.316 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -58.93 -47.95 83.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.396 178.425 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -60.74 -43.65 97.65 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.731 179.141 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.6 mmm -55.75 -49.66 72.5 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 120.889 1.677 . . . . 0.0 109.287 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -59.97 -44.18 94.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.85 -49.3 54.99 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.739 1.162 . . . . 0.0 110.987 178.591 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -42.07 70.5 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.32 177.306 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.51 66.08 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.825 1.193 . . . . 0.0 110.7 178.58 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.19 -40.52 64.71 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.445 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 39.4 7.05 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 127.17 2.319 . . . . 0.0 110.845 178.789 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -94.87 -63.2 1.2 Allowed 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 174.724 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.67 125.59 22.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 172.852 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.82 -45.84 0.67 Allowed Glycine 0 C--N 1.334 0.424 0 CA-C-O 122.062 0.812 . . . . 0.0 111.222 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.76 -73.81 1.41 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 103.874 -3.691 . . . . 0.0 103.874 -170.961 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -76.95 113.99 15.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 163.247 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -41.67 -35.7 0.82 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -171.658 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.317 0.5 OUTLIER 63.36 47.08 4.1 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.807 1.289 . . . . 0.0 109.017 -178.833 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.58 -45.37 4.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 129.286 3.034 . . . . 0.0 113.655 -179.248 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.84 -49.8 76.27 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.197 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.27 -50.56 71.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.0 m -45.97 -59.77 2.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.048 0.939 . . . . 0.0 110.741 176.682 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -42.55 94.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.885 -0.579 . . . . 0.0 110.648 -177.88 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.19 -58.96 6.17 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.207 0.458 . . . . 0.0 110.653 -178.574 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.81 -36.35 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 122.616 0.366 . . . . 0.0 111.032 -178.403 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.88 -24.86 39.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.604 0.762 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.29 -21.65 64.77 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.783 0.719 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.86 138.54 33.88 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.319 1.048 . . . . 0.0 110.461 -178.435 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -83.01 171.23 14.04 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.821 0.849 . . . . 0.0 108.936 177.6 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.46 -47.86 56.78 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.255 -0.903 . . . . 0.0 112.797 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -54.06 -50.72 66.12 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.603 0.716 . . . . 0.0 110.52 179.147 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.56 -48.85 77.66 Favored 'General case' 0 N--CA 1.426 -1.663 0 C-N-CA 124.166 0.986 . . . . 0.0 110.438 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -55.36 -51.51 66.54 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.551 0.74 . . . . 0.0 110.018 179.155 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -56.37 -45.08 80.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.838 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.72 80.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.46 -47.07 80.39 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.19 -58.25 8.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.593 173.573 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.68 -42.6 45.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.484 0.713 . . . . 0.0 111.952 179.146 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -58.16 -61.44 2.56 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.3 mtm -57.77 -23.93 54.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.4 m -67.36 -17.95 64.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.704 -0.665 . . . . 0.0 112.783 176.337 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -134.58 61.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 -176.556 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.251 34.0 tp . . . . . 0 N--CA 1.428 -1.557 0 CA-C-O 115.563 -2.161 . . . . 0.0 105.313 -171.96 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.791 0 N-CA-C 115.208 0.843 . . . . 0.0 115.208 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.77 -58.34 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.175 1.39 . . . . 0.0 112.602 -173.711 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.96 64.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.298 0.639 . . . . 0.0 112.096 -178.085 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.87 -52.91 31.1 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -47.24 -41.59 18.84 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 123.86 0.864 . . . . 0.0 112.833 -177.647 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -43.76 -37.59 2.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.255 0.622 . . . . 0.0 112.118 177.594 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -46.4 65.29 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.242 1.02 . . . . 0.0 110.887 178.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.31 -29.98 70.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.732 2.013 . . . . 0.0 110.741 -174.061 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -44.57 -37.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.246 0 C-N-CA 123.772 0.829 . . . . 0.0 109.773 173.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.36 3.36 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.472 1.034 . . . . 0.0 113.636 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 m -112.11 -35.35 5.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.109 0.954 . . . . 0.0 111.708 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -89.28 -27.78 20.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 -172.683 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 162.21 38.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -177.33 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.61 -56.54 14.68 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -85.93 33.38 0.6 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.315 1.046 . . . . 0.0 112.85 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.46 40.58 0.12 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 127.833 2.635 . . . . 0.0 115.658 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -99.53 -28.75 13.08 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -173.444 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -69.58 130.33 42.13 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 120.168 1.349 . . . . 0.0 108.824 -175.553 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.64 44.24 0.44 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.688 1.195 . . . . 0.0 112.783 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 24.59 -134.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.151 3.381 . . . . 0.0 115.82 179.23 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtp -70.28 69.32 0.37 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 74.05 0.81 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.72 0.676 . . . . 0.0 114.12 173.041 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m 79.02 68.53 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 124.452 1.101 . . . . 0.0 113.119 173.515 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.25 139.89 38.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 169.996 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -57.63 124.12 66.35 Favored Pre-proline 0 C--O 1.233 0.221 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 174.61 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.49 142.62 70.21 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 CA-C-N 120.041 1.05 . . . . 0.0 110.115 178.65 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.53 -41.82 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 109.483 -177.015 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -29.56 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.991 2.116 . . . . 0.0 111.799 -176.573 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.24 46.0 51.83 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 117.482 -1.732 . . . . 0.0 116.267 177.833 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.03 -51.05 65.26 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 120.807 2.303 . . . . 0.0 107.4 171.921 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.95 140.44 3.35 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 128.285 2.85 . . . . 0.0 110.552 170.43 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.23 -43.28 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.631 1.172 . . . . 0.0 113.796 -179.113 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.61 -52.56 63.9 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 123.68 0.792 . . . . 0.0 109.819 178.535 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -56.89 -63.97 1.03 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.3 mt -47.78 -47.18 30.89 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.834 1.653 . . . . 0.0 111.33 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -62.32 -51.75 66.43 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.295 0.952 . . . . 0.0 111.218 178.733 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -45.6 92.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.973 -177.564 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -69.11 -43.16 75.02 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 125.563 1.545 . . . . 0.0 110.917 -177.848 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.516 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.8 ppp? -67.14 -38.53 85.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.541 0.61 . . . . 0.0 109.546 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -61.2 -43.76 98.36 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 171.443 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.66 -40.83 48.93 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.616 1.579 . . . . 0.0 111.088 174.536 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -68.73 -44.96 72.74 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 124.002 0.921 . . . . 0.0 110.759 174.469 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.46 71.97 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.525 1.057 . . . . 0.0 109.942 175.5 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.44 5.73 14.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.44 1.096 . . . . 0.0 111.743 176.923 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.74 28.02 6.73 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 126.343 1.925 . . . . 0.0 113.789 -179.484 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.9 m -107.48 -41.65 5.01 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 117.745 0.773 . . . . 0.0 112.682 -173.823 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.01 75.74 0.92 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -173.597 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.51 -137.46 7.81 Favored Glycine 0 CA--C 1.525 0.687 0 O-C-N 120.981 -1.074 . . . . 0.0 110.501 177.701 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.18 171.59 33.39 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -11.63 -54.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.787 3.235 . . . . 0.0 116.874 -178.247 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -46.0 -29.68 1.54 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.655 1.182 . . . . 0.0 112.902 179.59 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -66.67 -12.16 57.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.37 -54.68 5.62 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -173.069 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -55.63 -56.87 15.26 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.091 0.948 . . . . 0.0 109.713 -178.498 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.3 ttp -53.91 -45.41 71.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.033 1.333 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.5 m -53.85 -55.43 26.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.061 0.944 . . . . 0.0 108.931 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -39.92 89.4 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.92 -59.74 4.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.064 0.393 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.26 -31.68 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 111.052 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -58.73 -22.85 58.66 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.62 0.646 . . . . 0.0 111.557 178.514 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -75.37 -17.07 60.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.98 0.809 . . . . 0.0 111.836 177.935 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.56 140.77 31.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.031 1.332 . . . . 0.0 110.982 -176.187 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -88.66 166.35 14.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.976 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -50.25 -39.73 45.69 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -176.275 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -56.32 -52.53 64.21 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.331 1.052 . . . . 0.0 109.37 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.79 -46.19 90.63 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.384 1.074 . . . . 0.0 109.144 178.551 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD22 ' SD ' ' A' ' 41' ' ' MET . 84.3 mt -53.23 -58.17 7.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.288 0.949 . . . . 0.0 109.863 179.149 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -55.86 -47.35 77.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.316 0.579 . . . . 0.0 109.685 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.38 70.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.07 -0.491 . . . . 0.0 112.272 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -48.63 63.48 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 -179.746 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.49 -52.13 60.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.363 0.415 . . . . 0.0 110.267 175.548 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.6 -50.35 63.22 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 119.333 -0.365 . . . . 0.0 111.092 177.053 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.82 -59.25 5.31 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.965 0.412 . . . . 0.0 110.794 -179.208 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.1 mtm -52.1 -33.23 38.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 125.619 1.568 . . . . 0.0 112.492 176.676 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -76.05 0.68 17.83 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.104 177.834 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -133.3 39.46 3.25 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -178.938 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.427 -1.607 0 C-N-CA 125.642 1.577 . . . . 0.0 107.733 -171.67 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.246 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.41 73.59 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 119.142 1.471 . . . . 0.0 111.314 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.95 69.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.53 -44.72 73.06 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.253 1.421 . . . . 0.0 110.748 -179.55 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 36.3 t80 -51.61 -35.18 40.66 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -175.198 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -47.35 -49.88 23.4 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.203 0.456 . . . . 0.0 111.277 -178.717 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -17.76 12.87 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.675 1.59 . . . . 0.0 114.623 -178.681 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 7' ' ' TYR . 2.1 m -91.87 -23.54 19.62 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.245 1.418 . . . . 0.0 111.456 -174.728 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.63 139.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 175.146 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.98 -44.18 1.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.215 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.82 -37.31 10.8 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 118.761 1.281 . . . . 0.0 108.874 176.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -110.11 -24.63 10.63 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.465 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.2 162.33 37.57 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.22 -4.7 14.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -124.75 19.59 8.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.548 1.939 . . . . 0.0 109.725 178.891 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.09 19.29 0.12 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 128.223 2.821 . . . . 0.0 115.77 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 p -97.33 -23.02 16.32 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -168.832 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -70.72 132.59 45.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 117.135 -1.826 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.62 103.69 2.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 175.35 0.38 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.241 0.616 . . . . 0.0 110.765 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mmm -30.84 128.79 0.13 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.421 1.888 . . . . 0.0 113.739 -176.548 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 55.32 31.32 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 123.669 0.652 . . . . 0.0 112.086 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 42.61 54.92 4.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.393 1.477 . . . . 0.0 112.801 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.57 57.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.986 -178.863 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.04 122.22 40.66 Favored Pre-proline 0 N--CA 1.44 -0.938 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 172.151 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.96 142.66 98.22 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.163 1.242 . . . . 0.0 108.999 -176.38 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.72 -52.6 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -176.619 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -21.09 86.97 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.978 2.911 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 47.68 3.35 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.061 1.315 . . . . 0.0 115.701 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.275 5.7 pt20 -58.95 -30.59 68.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.477 1.639 . . . . 0.0 110.512 176.837 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.46 134.33 1.63 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 127.383 2.42 . . . . 0.0 108.387 171.087 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.33 74.52 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.657 2.728 . . . . 0.0 110.565 -179.797 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.76 -54.96 27.09 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.712 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -47.67 -60.71 2.36 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.754 1.222 . . . . 0.0 109.501 177.305 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.61 -53.06 57.21 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.702 2.001 . . . . 0.0 110.445 -179.362 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -56.08 -54.48 44.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.332 0.514 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -59.25 -51.13 71.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.439 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -44.11 82.7 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.642 0.656 . . . . 0.0 111.108 -178.668 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -62.69 -40.13 96.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.817 0.735 . . . . 0.0 110.238 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -58.59 -55.77 30.82 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.86 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.0 -48.43 38.49 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.354 0.978 . . . . 0.0 111.448 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -59.41 -62.17 2.08 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.72 0.808 . . . . 0.0 109.814 178.197 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.08 68.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.796 0.726 . . . . 0.0 112.06 -178.027 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.54 -28.98 69.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.27 1.428 . . . . 0.0 111.439 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 30.74 16.28 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.656 -0.524 . . . . 0.0 111.833 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 p -108.86 -70.46 0.81 Allowed 'General case' 0 C--N 1.338 0.1 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.362 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -62.9 121.51 13.68 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.828 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.06 -176.66 47.19 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 165.08 29.03 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 106.77 -2.532 . . . . 0.0 106.77 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -6.3 -91.46 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.561 2.344 . . . . 0.0 115.489 -179.708 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -63.46 -38.82 92.6 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.23 -0.919 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -60.79 -17.97 52.48 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.119 0.968 . . . . 0.0 110.767 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.98 -32.97 22.74 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.797 -0.564 . . . . 0.0 110.991 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.2 -63.28 1.11 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 175.646 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 tpt -41.98 -44.78 3.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.806 2.442 . . . . 0.0 110.981 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -42.21 -46.0 4.29 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.162 1.385 . . . . 0.0 110.938 177.74 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -115.32 19.8 15.29 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 121.677 -0.639 . . . . 0.0 112.226 179.394 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.0 93.28 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 164.14 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.5 m -91.49 24.43 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.447 1.899 . . . . 0.0 111.928 176.214 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -10.82 81.82 0.0 OUTLIER 'General case' 0 C--N 1.346 0.419 0 C-N-CA 129.865 3.266 . . . . 0.0 114.472 175.336 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.7 42.78 3.05 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.325 -2.216 . . . . 0.0 112.683 176.791 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.33 141.12 6.86 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.636 1.175 . . . . 0.0 109.574 174.658 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t -78.49 162.55 26.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.163 0.585 . . . . 0.0 111.061 -175.243 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.21 -49.22 6.62 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -174.484 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.15 0.98 . . . . 0.0 110.163 179.15 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.35 -48.06 83.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.782 1.233 . . . . 0.0 109.225 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.19 -57.97 10.5 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.183 -177.816 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -54.98 -50.17 69.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.354 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.19 74.93 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 117.992 -1.004 . . . . 0.0 112.571 -179.552 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.8 -48.87 75.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 120.322 1.419 . . . . 0.0 107.458 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -55.61 28.9 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.645 0.202 . . . . 0.0 110.687 177.364 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -49.78 -51.7 37.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.112 0.565 . . . . 0.0 110.804 178.336 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -58.74 -50.95 72.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.287 0.635 . . . . 0.0 110.791 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtm -62.05 -19.67 63.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.844 0.858 . . . . 0.0 112.294 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 m -89.27 7.67 34.36 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.745 1.218 . . . . 0.0 112.179 173.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.67 48.03 1.74 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.576 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 -172.086 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 CA-C-O 122.167 0.87 . . . . 0.0 114.548 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.66 -61.08 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.276 1.43 . . . . 0.0 111.399 -174.447 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 48.66 1.4 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.038 0.535 . . . . 0.0 110.192 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.2 mt -147.54 -58.02 0.25 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.544 2.738 . . . . 0.0 105.746 175.218 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -45.26 -40.67 7.74 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.316 1.447 . . . . 0.0 112.651 -178.355 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -43.44 -35.38 1.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.12 0.968 . . . . 0.0 112.603 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.24 -46.69 48.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.63 0.772 . . . . 0.0 110.295 178.649 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -59.71 -35.21 74.05 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.962 1.705 . . . . 0.0 110.025 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -46.46 -34.13 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.566 0.746 . . . . 0.0 110.459 175.609 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.15 -36.66 7.36 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.502 0.572 . . . . 0.0 112.734 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.4 -38.08 5.57 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.924 0.89 . . . . 0.0 110.972 179.419 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -81.9 -33.36 30.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -173.54 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.43 170.75 47.23 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.626 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.11 -72.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.425 0.69 . . . . 0.0 111.359 -177.144 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.62 36.02 0.69 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.04 0.936 . . . . 0.0 112.067 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.25 36.75 4.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.665 2.079 . . . . 0.0 114.539 179.112 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -113.49 -6.53 13.45 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.199 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -79.22 157.5 27.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 121.061 1.755 . . . . 0.0 110.52 -178.19 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 122.86 18.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.13 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.3 -129.38 0.09 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.444 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.7 mmt -72.62 73.05 1.05 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.586 -0.696 . . . . 0.0 110.0 177.132 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.93 -151.97 28.03 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 64.85 0.16 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.799 1.64 . . . . 0.0 112.505 -178.101 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 137.12 36.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.272 1.029 . . . . 0.0 109.17 178.252 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -56.84 124.11 62.44 Favored Pre-proline 0 C--O 1.233 0.228 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.062 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.46 143.35 88.01 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 N-CA-C 106.947 -1.982 . . . . 0.0 106.947 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.3 t -103.3 33.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.966 1.306 . . . . 0.0 110.411 -171.565 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 57.28 1.87 Allowed 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 124.967 1.307 . . . . 0.0 108.831 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.2 74.46 0.85 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.906 1.241 . . . . 0.0 113.203 -178.913 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.72 -53.48 57.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 173.366 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.5 135.35 1.8 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 127.522 2.487 . . . . 0.0 108.349 172.758 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.9 -45.83 15.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.37 2.085 . . . . 0.0 113.494 -176.564 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -60.5 -53.94 51.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.251 0.62 . . . . 0.0 109.839 179.645 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -52.35 -58.64 6.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.419 1.488 . . . . 0.0 108.386 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.1 mt -49.48 -64.31 0.85 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 127.017 2.127 . . . . 0.0 109.702 179.36 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -40.82 -58.08 1.77 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.705 1.139 . . . . 0.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -53.16 -49.82 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.675 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -60.38 -56.67 18.65 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.914 179.017 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -41.83 75.45 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.564 1.529 . . . . 0.0 110.946 178.314 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.46 -52.34 64.93 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.422 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.56 -43.91 45.99 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.954 1.74 . . . . 0.0 111.795 178.238 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.76 -60.41 2.92 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.605 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -46.21 64.96 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.044 0.384 . . . . 0.0 111.972 -177.398 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -77.52 7.32 5.65 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.709 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.24 30.99 79.2 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.237 0.922 . . . . 0.0 114.69 175.863 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -103.02 -54.69 2.57 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 118.175 0.988 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -80.16 68.14 6.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.138 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.97 -172.45 41.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.54 0.42 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -133.5 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.391 1.077 . . . . 0.0 108.67 178.698 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -50.03 -31.99 14.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.169 0.895 . . . . 0.0 111.0 176.164 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -52.95 -26.24 14.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.182 1.793 . . . . 0.0 112.663 178.246 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.62 63.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.822 0.449 . . . . 0.0 110.428 174.373 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ttt -67.32 -49.15 65.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.694 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.7 mmm -50.93 -46.29 60.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.869 1.667 . . . . 0.0 109.97 178.557 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 m -47.33 -35.49 8.14 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.092 0.557 . . . . 0.0 111.512 175.805 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 62' ' ' LYS 0.354 0.7 OUTLIER -114.32 23.31 12.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.988 . . . . . . . . 4 4 . 1 . 035 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.71 -54.93 3.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 163.453 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.95 40.12 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.878 1.271 . . . . 0.0 108.588 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 44.6 tttp -17.37 -69.17 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 130.015 3.326 . . . . 0.0 117.262 -170.838 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 34.73 2.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.699 0.625 . . . . 0.0 109.922 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 126.15 16.96 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 p -92.47 167.59 11.86 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.68 0.792 . . . . 0.0 109.409 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.6 -53.96 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.691 1.196 . . . . 0.0 114.185 -176.185 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.73 -54.51 32.71 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.436 0.636 . . . . 0.0 109.955 178.693 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.44 -51.13 71.15 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.555 1.142 . . . . 0.0 109.652 -178.079 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -57.93 -56.7 18.53 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.165 1.386 . . . . 0.0 110.877 -177.765 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -44.09 96.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.868 0.467 . . . . 0.0 109.891 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.53 -33.93 73.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.227 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -66.87 -50.66 61.79 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 177.539 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.31 59.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 123.492 0.495 . . . . 0.0 110.041 175.546 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.02 -51.24 68.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.642 0.377 . . . . 0.0 110.657 178.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -53.43 -60.73 2.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.09 0.556 . . . . 0.0 110.188 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 mtm -59.27 -31.96 69.58 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.699 0.799 . . . . 0.0 112.821 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -74.4 3.25 7.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.332 175.067 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -140.74 50.19 1.67 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.671 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 C--O 1.253 1.265 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -172.253 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 116.558 1.383 . . . . 0.0 116.558 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.85 -42.26 26.04 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.14 0.576 . . . . 0.0 111.97 -177.83 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.47 89.86 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.188 0.595 . . . . 0.0 111.649 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.44 -47.18 64.85 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.072 0.949 . . . . 0.0 109.687 -179.249 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -47.06 -37.08 8.91 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.728 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -47.12 -28.25 1.71 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.779 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -88.22 -46.99 8.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 110.121 175.712 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m -55.19 -35.21 64.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.932 2.093 . . . . 0.0 111.293 -175.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.3 pt -54.45 -22.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.957 178.714 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.05 -34.24 11.61 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 118.85 0.75 . . . . 0.0 111.935 174.899 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 m -111.99 -42.54 3.75 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.72 0.76 . . . . 0.0 110.364 177.423 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -74.58 -22.55 58.92 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -174.964 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -70.8 2.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.582 1.087 . . . . 0.0 112.233 175.378 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.13 -77.99 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 117.097 0.448 . . . . 0.0 110.246 -178.336 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -59.97 -40.76 90.18 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 123.159 0.584 . . . . 0.0 111.831 -179.507 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.68 13.91 15.39 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.89 1.233 . . . . 0.0 111.221 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -67.64 -42.91 81.5 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.265 1.033 . . . . 0.0 109.733 177.002 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 41.42 -141.41 0.09 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.72 2.008 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 143.62 62.9 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 1 C-N-CA 132.768 4.427 . . . . 0.0 102.37 -175.227 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.21 -127.93 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.483 1.113 . . . . 0.0 111.22 -172.123 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.3 mmt -70.24 75.58 0.52 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.046 0.538 . . . . 0.0 110.563 -179.53 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -178.55 37.37 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.094 1.331 . . . . 0.0 110.522 -178.756 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -75.79 65.99 2.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.073 0.949 . . . . 0.0 109.037 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.39 149.86 42.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.461 1.104 . . . . 0.0 110.475 -178.992 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.25 118.87 30.65 Favored Pre-proline 0 N--CA 1.439 -0.986 0 C-N-CA 125.181 1.392 . . . . 0.0 109.44 177.852 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.98 135.19 62.87 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.647 2.231 . . . . 0.0 111.944 178.654 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -74.85 -39.23 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.81 0.844 . . . . 0.0 111.111 -179.142 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -31.86 94.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.122 1.769 . . . . 0.0 112.037 -176.571 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.0 2.39 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.428 1.966 . . . . 0.0 115.647 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -48.49 -58.43 4.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 123.115 1.436 . . . . 0.0 109.732 176.039 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.98 132.86 1.56 Allowed Glycine 0 C--O 1.219 -0.836 0 C-N-CA 127.872 2.653 . . . . 0.0 106.917 174.113 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.24 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 121.133 2.467 . . . . 0.0 112.432 -176.156 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -53.47 55.08 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.11 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -49.97 -61.11 2.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.056 1.342 . . . . 0.0 108.912 177.55 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 76' ' ' MET . 11.8 mt -49.23 -64.14 0.89 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.143 1.777 . . . . 0.0 109.144 179.313 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -40.17 -55.32 2.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 119.104 0.866 . . . . 0.0 111.518 178.987 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.37 -43.46 92.87 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 71.4 mmtt -64.64 -56.98 10.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.759 0.824 . . . . 0.0 111.258 178.961 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -39.27 75.71 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 119.929 1.24 . . . . 0.0 110.19 177.703 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -60.21 -54.77 41.86 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.456 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.05 -50.45 21.76 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 125.65 1.595 . . . . 0.0 110.596 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -59.47 -64.77 0.82 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.135 0.574 . . . . 0.0 109.671 177.015 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -46.25 43.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.226 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -75.11 -9.7 58.78 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.15 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.81 7.02 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 118.664 0.665 . . . . 0.0 113.346 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.5 p -120.21 -77.44 0.58 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.029 0.914 . . . . 0.0 109.436 175.935 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.417 ' CE2' ' HD2' ' A' ' 40' ' ' LYS . 56.6 t80 -59.12 123.26 16.03 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.25 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.21 -167.78 40.31 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.487 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.5 109.09 0.94 Allowed Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.215 1.388 . . . . 0.0 111.212 -175.888 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.2 -103.66 0.12 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.683 1.993 . . . . 0.0 112.181 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -58.15 -39.22 78.24 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.175 -0.953 . . . . 0.0 109.658 177.462 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -72.63 -31.36 65.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.884 1.274 . . . . 0.0 108.828 176.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.21 93.66 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.455 -0.778 . . . . 0.0 110.219 177.706 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.7 tpt -60.26 -53.79 53.43 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 174.507 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.54 -43.6 17.17 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 126.881 2.073 . . . . 0.0 110.781 179.293 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.7 m -38.82 -45.74 1.19 Allowed 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.188 1.395 . . . . 0.0 111.422 177.728 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -114.5 13.16 17.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.33 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 164.8 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.93 28.9 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.631 1.572 . . . . 0.0 111.207 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -14.16 83.64 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.418 3.487 . . . . 0.0 114.361 175.084 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 48.99 38.49 12.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 112.535 -2.121 . . . . 0.0 112.619 174.029 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.27 132.53 16.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 109.906 174.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.68 171.31 14.13 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.979 0.911 . . . . 0.0 111.592 -175.348 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -52.0 -50.69 60.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.278 -0.888 . . . . 0.0 113.019 -178.206 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -51.97 -51.99 53.44 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 124.142 0.977 . . . . 0.0 109.643 178.118 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.83 -60.4 3.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 113.697 -1.592 . . . . 0.0 108.746 179.881 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -52.9 -53.34 50.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.152 1.381 . . . . 0.0 112.318 -176.611 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.66 -51.54 69.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 -177.505 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.73 74.2 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.0 -179.381 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.03 -52.46 59.36 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.566 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.46 69.65 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.255 0.222 . . . . 0.0 110.525 176.57 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.2 -47.39 72.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.918 -0.128 . . . . 0.0 110.762 177.629 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -58.61 -50.3 74.33 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.286 0.634 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.478 ' HB2' HD13 ' A' ' 37' ' ' LEU . 4.6 mmt -58.59 -33.53 70.08 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.95 -0.469 . . . . 0.0 111.203 178.641 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 m -78.93 10.18 3.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.846 1.258 . . . . 0.0 113.15 176.454 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -142.67 45.68 1.6 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 178.156 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 N--CA 1.435 -1.217 0 C-N-CA 126.455 1.902 . . . . 0.0 106.05 -175.185 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 116.354 1.302 . . . . 0.0 116.354 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.2 5.42 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.594 1.157 . . . . 0.0 111.446 -179.7 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.69 86.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.791 0.836 . . . . 0.0 111.515 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mp -66.07 -47.85 72.93 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -46.66 -39.7 11.82 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.019 0.928 . . . . 0.0 113.475 -175.868 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -47.25 -36.99 9.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.721 1.209 . . . . 0.0 111.882 178.364 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -66.52 -45.72 78.58 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.93 0.871 . . . . 0.0 110.375 178.581 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.29 -35.51 79.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.172 1.789 . . . . 0.0 110.055 -174.466 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -47.47 -37.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 123.271 0.628 . . . . 0.0 109.599 175.233 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.54 -30.82 6.56 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.808 -0.996 . . . . 0.0 113.423 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -113.88 -43.89 3.22 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.759 1.279 . . . . 0.0 110.002 -178.717 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -76.34 -22.17 55.25 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -176.049 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.32 172.55 49.13 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -173.858 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.64 -71.72 0.08 Allowed 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.557 . . . . 0.0 110.98 -177.715 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -86.91 60.45 6.23 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.953 0.901 . . . . 0.0 109.946 -178.593 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 4.65 70.69 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 1 C-N-CA 130.705 4.003 . . . . 0.0 115.679 179.129 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -139.06 -1.2 1.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.968 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.29 121.24 15.27 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.813 1.188 . . . . 0.0 110.546 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 66.49 2.49 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.136 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.44 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.288 1.835 . . . . 0.0 111.879 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.2 71.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.526 1.13 . . . . 0.0 108.251 179.148 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -172.57 55.12 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -178.026 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 m -71.04 63.02 0.31 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.003 1.321 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 134.43 54.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.353 0.661 . . . . 0.0 109.833 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -55.23 125.93 59.76 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 174.135 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -53.18 135.47 59.69 Favored 'Trans proline' 0 N--CA 1.444 -1.441 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 176.428 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.86 -41.29 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -178.364 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -29.31 93.52 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.941 2.496 . . . . 0.0 111.737 176.806 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 56.41 41.98 88.74 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 117.281 1.673 . . . . 0.0 117.281 176.317 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -54.59 -53.63 52.02 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 120.504 2.152 . . . . 0.0 108.187 172.552 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.12 136.52 2.17 Favored Glycine 0 C--O 1.222 -0.64 0 CA-C-N 112.108 -2.315 . . . . 0.0 109.892 174.419 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.77 -42.8 8.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.761 1.781 . . . . 0.0 113.04 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.89 -51.07 66.25 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 123.391 0.676 . . . . 0.0 110.328 179.119 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.1 -58.5 7.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.354 1.062 . . . . 0.0 108.621 178.651 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -55.12 -48.14 74.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.078 1.351 . . . . 0.0 110.8 -178.72 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.14 -51.64 69.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.391 0.541 . . . . 0.0 110.636 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.14 -51.29 69.72 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.684 0.278 . . . . 0.0 111.471 -177.455 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.02 -41.26 95.47 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.89 0.876 . . . . 0.0 110.833 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.486 ' SD ' HD13 ' A' ' 69' ' ' LEU 0.261 3.3 ppp? -67.79 -42.25 81.94 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 179.111 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -57.24 -39.98 76.65 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 170.051 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.43 -62.96 3.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 126.772 2.129 . . . . 0.0 109.358 174.074 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -59.97 -40.36 88.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.801 0.84 . . . . 0.0 110.463 178.74 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.29 81.03 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 123.145 0.578 . . . . 0.0 110.844 178.249 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.43 -45.31 55.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.462 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.56 -5.76 33.29 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.666 1.127 . . . . 0.0 112.175 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -70.66 -56.24 6.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.086 0.943 . . . . 0.0 109.468 178.864 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.14 107.93 0.82 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.559 179.512 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.64 -77.84 1.23 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-O 122.04 0.8 . . . . 0.0 111.842 178.076 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 -64.73 0.25 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.84 2.162 . . . . 0.0 115.295 175.823 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.55 -93.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.505 2.322 . . . . 0.0 114.214 -172.568 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -58.4 -24.3 59.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.908 -1.12 . . . . 0.0 112.159 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.49 -24.22 67.54 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.378 2.271 . . . . 0.0 110.262 177.492 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -10.57 -65.16 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 128.612 2.765 . . . . 0.0 116.483 -178.859 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ptp -49.05 -53.24 21.14 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.866 0.841 . . . . 0.0 110.91 179.458 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.0 ttp -64.14 -52.48 58.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.496 1.518 . . . . 0.0 108.131 177.351 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -45.14 -57.28 4.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.817 0.847 . . . . 0.0 110.619 -178.836 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -46.54 89.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 110.335 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.23 13.21 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 117.985 0.357 . . . . 0.0 110.721 -178.447 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.53 -33.83 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 O-C-N 121.879 -0.513 . . . . 0.0 111.533 -179.138 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.06 -25.7 59.1 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.316 0.962 . . . . 0.0 111.185 178.582 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.43 -11.48 59.95 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.76 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.47 171.55 9.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.433 1.093 . . . . 0.0 110.291 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.0 p -120.98 167.65 12.35 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.254 1.022 . . . . 0.0 110.81 -178.122 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -45.49 -47.66 14.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -176.033 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.16 -50.23 73.47 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.581 0.752 . . . . 0.0 110.777 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.87 -47.69 82.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.115 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD13 ' SD ' ' A' ' 41' ' ' MET . 0.8 OUTLIER -55.71 -58.65 6.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.275 0.63 . . . . 0.0 111.11 -177.454 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -52.64 -46.73 67.23 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.504 0.721 . . . . 0.0 109.203 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.02 79.51 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -49.27 64.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 105.763 -1.939 . . . . 0.0 105.763 -178.741 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.31 -50.06 65.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.802 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.11 -52.14 59.63 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 117.945 0.339 . . . . 0.0 110.698 177.78 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -54.01 -59.99 3.92 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.034 0.445 . . . . 0.0 110.204 178.791 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.8 mtm -56.38 -25.96 51.41 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.64 1.176 . . . . 0.0 113.292 179.45 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -76.41 -6.12 50.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.263 176.702 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -133.76 52.08 2.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -178.261 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 -171.46 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.271 1.028 . . . . 0.0 112.441 -177.248 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.73 79.06 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.213 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.33 -50.89 68.46 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -179.133 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -47.53 -36.46 10.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.601 0.761 . . . . 0.0 112.931 -178.963 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -57.61 -15.4 7.37 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -178.754 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -87.61 -31.12 19.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.502 1.046 . . . . 0.0 110.986 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.3 m -71.84 -28.67 63.72 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.49 1.516 . . . . 0.0 111.955 -173.056 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 pt -47.9 -31.94 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.865 0.866 . . . . 0.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.11 -34.24 5.86 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.099 0.857 . . . . 0.0 112.297 177.744 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -114.23 -40.33 3.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.487 0.715 . . . . 0.0 110.24 177.074 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.402 ' CE1' HG21 ' A' ' 29' ' ' VAL . 90.2 m-70 -78.77 -5.11 52.43 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -174.856 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.19 -152.12 47.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 178.733 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.16 -0.17 39.08 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.06 -85.61 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.185 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.61 41.5 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -102.99 17.34 24.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.822 1.649 . . . . 0.0 110.179 177.926 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 175.75 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.075 1.879 . . . . 0.0 116.075 -175.875 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.99 73.44 1.42 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 170.705 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.55 -142.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.782 1.233 . . . . 0.0 111.966 -172.707 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.8 mtt -67.32 83.3 0.15 Allowed 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.583 -0.698 . . . . 0.0 110.671 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.16 172.01 48.16 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.506 1.05 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.41 109.42 0.3 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.602 1.161 . . . . 0.0 109.708 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.21 51.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.206 1.002 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.52 111.16 2.63 Favored Pre-proline 0 N--CA 1.436 -1.136 0 C-N-CA 125.814 1.646 . . . . 0.0 108.092 175.387 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -61.55 103.73 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.661 1.574 . . . . 0.0 108.913 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.402 HG21 ' CE1' ' A' ' 14' ' ' HIS . 2.3 t -37.02 -44.6 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 126.178 1.791 . . . . 0.0 113.24 -177.333 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 106.19 0.21 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.793 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.19 -38.14 2.38 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.556 -1.136 . . . . 0.0 114.065 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.261 8.0 pm0 -75.78 156.41 34.57 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.857 1.828 . . . . 0.0 109.377 178.885 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.22 159.17 15.69 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -168.529 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.57 2.22 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 127.352 2.261 . . . . 0.0 112.781 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -56.62 -43.46 80.24 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.489 1.515 . . . . 0.0 111.238 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -79.74 -52.29 8.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.7 mt -50.61 -62.35 1.65 Allowed 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 125.381 1.472 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -44.13 -53.59 6.31 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 124.477 1.111 . . . . 0.0 112.374 -179.555 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -57.27 -44.8 84.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.351 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.79 -50.53 62.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.248 -0.882 . . . . 0.0 112.948 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -37.58 78.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.696 1.589 . . . . 0.0 109.95 175.261 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.29 -46.94 88.24 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.184 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.96 -49.68 65.57 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.945 1.259 . . . . 0.0 111.506 178.217 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -58.11 -57.96 10.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.116 0.966 . . . . 0.0 108.399 177.025 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.2 -43.98 67.6 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.901 -0.499 . . . . 0.0 111.787 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.3 -34.4 78.04 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.427 1.091 . . . . 0.0 110.661 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.4 24.82 20.55 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.116 0.865 . . . . 0.0 111.5 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -98.1 -67.92 0.82 Allowed 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.997 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.59 74.18 1.06 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.19 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.57 -175.95 27.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -177.943 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 173.09 39.64 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.77 -51.02 23.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.812 0.845 . . . . 0.0 112.373 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -60.47 -22.84 63.95 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.677 0.791 . . . . 0.0 112.651 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -95.37 -21.97 18.03 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.489 1.116 . . . . 0.0 111.486 -177.878 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -30.76 -56.47 0.21 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -175.584 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.9 mmm -55.04 -55.36 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 110.497 -179.24 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -57.86 -44.53 86.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.538 0.735 . . . . 0.0 109.635 177.793 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -52.15 -52.34 52.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.151 0.98 . . . . 0.0 108.721 -179.346 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.94 95.73 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.221 -0.299 . . . . 0.0 110.622 178.062 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.53 65.34 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.096 0.407 . . . . 0.0 110.311 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.1 m -71.87 -27.58 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.668 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -33.76 53.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.723 1.147 . . . . 0.0 110.383 175.94 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -68.39 -20.83 64.71 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.2 122.63 34.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.196 1.398 . . . . 0.0 109.948 -178.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -170.12 2.64 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.347 0.659 . . . . 0.0 109.808 177.474 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.24 -53.65 50.72 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.43 -47.8 75.43 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 122.238 1.018 . . . . 0.0 110.596 -177.637 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -56.64 -55.16 37.53 Favored 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 125.827 1.651 . . . . 0.0 109.453 178.498 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.71 -47.73 76.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.419 0.688 . . . . 0.0 111.063 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.01 -49.52 73.44 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.46 78.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.64 -50.56 68.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.45 68.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.221 175.095 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -53.82 -51.7 62.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.83 0.452 . . . . 0.0 111.117 -179.335 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -52.91 -61.78 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.31 0.576 . . . . 0.0 110.57 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.1 mtm -62.72 -30.27 71.29 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.763 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -61.2 -6.87 2.31 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.351 0.978 . . . . 0.0 113.218 177.278 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.48 -11.65 58.34 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.56 1.073 . . . . 0.0 110.63 177.227 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 125.963 1.705 . . . . 0.0 109.983 -178.101 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.45 -45.82 6.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.49 1.516 . . . . 0.0 113.39 -176.469 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.36 64.64 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 110.681 178.62 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.62 -39.81 95.31 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.555 1.542 . . . . 0.0 110.122 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.93 -22.78 6.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.333 1.053 . . . . 0.0 113.16 -179.317 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -56.23 -32.67 64.66 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.422 -0.799 . . . . 0.0 110.745 175.052 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -95.81 37.62 1.21 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.866 0.866 . . . . 0.0 110.191 176.728 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -142.33 -46.06 0.33 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 126.036 1.735 . . . . 0.0 110.042 -174.724 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -52.33 139.36 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 171.435 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.49 -44.66 1.46 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.206 -1.957 . . . . 0.0 108.206 -173.199 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.7 -45.22 6.77 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.678 1.239 . . . . 0.0 107.873 175.815 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.31 -32.44 14.3 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.169 0.587 . . . . 0.0 111.823 -179.708 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.41 172.77 45.82 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.706 0.669 . . . . 0.0 111.994 178.137 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.92 -47.92 8.46 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.407 1.483 . . . . 0.0 112.185 -178.091 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.73 -98.98 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 174.739 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.11 56.44 0.05 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 176.334 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -152.88 1.9 0.3 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.053 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -73.47 167.76 20.63 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.869 1.668 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.56 124.35 22.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.275 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.25 -133.35 0.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ptm -77.0 63.3 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.811 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.92 -169.89 24.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 -173.583 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 134.47 43.22 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.972 0.909 . . . . 0.0 110.861 179.382 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.88 141.3 17.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.029 0.532 . . . . 0.0 110.114 -179.073 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.78 136.27 86.85 Favored Pre-proline 0 N--CA 1.437 -1.083 0 C-N-CA 125.365 1.466 . . . . 0.0 107.864 172.497 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.27 138.08 35.4 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 108.185 -1.506 . . . . 0.0 108.185 177.345 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -36.25 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 C-N-CA 122.44 0.296 . . . . 0.0 110.532 -179.593 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -37.69 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.29 1.836 . . . . 0.0 112.277 -177.235 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.02 42.14 99.71 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 117.253 -1.859 . . . . 0.0 115.644 177.83 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.11 -64.99 0.72 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 121.45 2.625 . . . . 0.0 108.008 174.633 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.04 129.79 1.13 Allowed Glycine 0 CA--C 1.523 0.577 0 CA-C-N 112.888 -1.96 . . . . 0.0 108.971 173.646 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.2 -41.53 3.83 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.773 1.787 . . . . 0.0 112.886 -178.532 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.37 -55.23 37.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.06 0.544 . . . . 0.0 110.451 176.698 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.96 -58.66 7.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.077 1.351 . . . . 0.0 108.281 -179.376 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.0 mt -52.96 -46.33 68.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.099 1.36 . . . . 0.0 111.07 -178.764 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -60.94 -51.24 70.12 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 118.71 0.687 . . . . 0.0 110.952 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -60.22 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.939 -179.347 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.1 -51.45 69.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.094 0.958 . . . . 0.0 111.066 179.466 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -63.97 -42.19 97.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.476 0.71 . . . . 0.0 110.579 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.55 -42.28 98.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.669 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.47 -48.46 75.99 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 177.369 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.4 -53.04 62.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 123.559 0.744 . . . . 0.0 109.063 176.591 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.45 -46.58 66.5 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.397 0.679 . . . . 0.0 111.848 178.734 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.72 -39.14 90.85 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.097 0.559 . . . . 0.0 110.194 178.911 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 -8.62 45.86 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.759 1.171 . . . . 0.0 111.366 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -62.62 -63.69 1.14 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.568 1.147 . . . . 0.0 108.303 179.045 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.14 66.28 3.71 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 175.202 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.85 -118.06 0.44 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -177.84 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.43 -52.2 2.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.26 0.933 . . . . 0.0 114.478 176.505 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.41 -145.04 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.168 0.987 . . . . 0.0 110.657 -178.22 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -41.98 -39.95 2.05 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.423 1.489 . . . . 0.0 111.21 177.53 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -41.3 -33.14 0.35 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 128.661 2.785 . . . . 0.0 113.216 176.767 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.16 -47.33 0.28 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.889 1.676 . . . . 0.0 114.554 -179.046 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.9 mmt -58.37 -54.31 48.41 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.627 0.727 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.1 ttp -58.07 -50.73 72.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.319 1.048 . . . . 0.0 108.624 178.185 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -45.45 -58.27 3.48 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.036 0.934 . . . . 0.0 109.559 177.394 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -41.08 92.7 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.017 -178.947 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.69 7.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.387 0.539 . . . . 0.0 110.533 -179.088 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.4 m -64.89 -30.51 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.991 -0.443 . . . . 0.0 111.379 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -55.71 -25.31 39.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.585 0.629 . . . . 0.0 111.709 178.403 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -70.23 -19.22 63.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.536 0.607 . . . . 0.0 111.963 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.93 39.4 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.488 1.115 . . . . 0.0 111.522 -177.643 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -78.11 167.92 20.68 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 110.043 178.502 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.64 -49.19 48.18 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.012 -1.055 . . . . 0.0 112.679 -179.396 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.44 -49.66 66.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.545 0.738 . . . . 0.0 110.268 178.421 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.99 -51.09 68.19 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.743 -179.067 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -51.29 -55.36 18.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.575 1.15 . . . . 0.0 109.454 178.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -49.53 73.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.372 0.606 . . . . 0.0 109.977 178.409 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.72 71.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.702 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -73.25 -39.36 65.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -178.848 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.18 70.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.285 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -52.9 -51.9 59.58 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.09 -57.76 8.59 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.613 0.765 . . . . 0.0 110.344 178.13 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.17 -29.21 65.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.64 0.376 . . . . 0.0 111.76 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -75.83 -3.63 36.19 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.577 177.659 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -142.0 57.74 1.48 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 -178.063 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 N--CA 1.434 -1.273 0 C-N-CA 126.426 1.891 . . . . 0.0 108.059 -172.458 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 117.042 -1.456 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -153.61 145.9 23.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 119.572 1.078 . . . . 0.0 109.408 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -19.91 -60.31 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 128.299 2.857 . . . . 0.0 115.685 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.38 -46.37 13.15 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.657 0.783 . . . . 0.0 112.107 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.778 0.431 . . . . 0.0 111.289 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.55 -44.05 79.2 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -50.66 -40.68 54.09 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -44.04 -40.63 4.94 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -73.47 -42.91 61.32 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.247 1.022 . . . . 0.0 111.091 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.91 -32.77 61.46 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 129.016 2.926 . . . . 0.0 111.241 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -45.15 -37.62 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.026 0.931 . . . . 0.0 109.794 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.0 -36.44 27.5 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 119.247 -0.752 . . . . 0.0 113.384 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.14 -23.71 10.28 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.51 1.155 . . . . 0.0 112.842 -176.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -107.41 -21.11 13.04 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 -174.12 55.29 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.37 -72.98 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.238 -0.566 . . . . 0.0 110.35 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.74 51.31 1.86 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.757 1.223 . . . . 0.0 110.153 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 22.39 60.29 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.605 3.003 . . . . 0.0 116.218 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -141.06 -4.57 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -68.75 158.89 33.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 121.266 1.848 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.55 122.56 16.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.4 -139.38 0.08 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 mtt -73.74 72.12 1.49 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.39 -165.25 29.9 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -65.27 116.09 6.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.054 0.942 . . . . 0.0 109.344 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.39 149.76 48.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.88 0.872 . . . . 0.0 108.781 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.13 133.59 92.77 Favored Pre-proline 0 N--CA 1.433 -1.321 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.23 142.25 41.14 Favored 'Trans proline' 0 N--CA 1.445 -1.349 0 N-CA-C 108.998 -1.193 . . . . 0.0 108.998 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -70.57 -36.92 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.993 1.317 . . . . 0.0 108.99 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -20.08 92.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.07 2.548 . . . . 0.0 112.418 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.93 48.68 3.38 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 126.72 2.105 . . . . 0.0 115.419 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -53.68 -54.52 36.67 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.031 1.916 . . . . 0.0 108.357 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.82 143.19 3.63 Favored Glycine 0 C--O 1.223 -0.576 0 C-N-CA 127.71 2.576 . . . . 0.0 109.946 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.24 -41.23 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.988 1.315 . . . . 0.0 111.847 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.02 -55.56 32.53 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.081 0.553 . . . . 0.0 110.252 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.98 -59.77 4.57 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 125.622 1.569 . . . . 0.0 109.15 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD23 HMA3 ' A' ' 80' ' ' HEC . 56.6 mt -54.68 -45.75 73.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.742 1.217 . . . . 0.0 110.57 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.11 -53.38 59.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.641 0.655 . . . . 0.0 110.363 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.91 -47.02 86.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.742 0.246 . . . . 0.0 111.541 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -65.71 -49.47 68.37 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.937 -0.477 . . . . 0.0 111.268 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.44 -40.34 96.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.44 0.564 . . . . 0.0 110.012 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.45 -48.86 79.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.13 -50.9 32.36 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 125.375 1.464 . . . . 0.0 110.285 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.38 -58.68 6.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.885 0.874 . . . . 0.0 110.19 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.18 -45.96 61.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.682 0.674 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.27 -35.79 71.48 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.716 0.806 . . . . 0.0 111.122 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.2 14.64 35.32 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.573 1.082 . . . . 0.0 111.628 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -40.13 42.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.965 0.906 . . . . 0.0 108.77 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -106.22 136.49 45.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.83 -169.84 41.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.18 173.63 33.98 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 107.27 -2.332 . . . . 0.0 107.27 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -40.57 -69.08 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.797 1.239 . . . . 0.0 112.841 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -60.44 -25.03 65.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.13 -21.92 60.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.709 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.65 4.25 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.5 ttt -57.38 -54.27 48.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.336 0.588 . . . . 0.0 110.013 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 ttp -54.73 -45.64 74.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.588 0.755 . . . . 0.0 110.144 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -57.61 6.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.836 1.254 . . . . 0.0 108.797 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -36.03 82.13 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.763 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.7 64.39 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.981 0.809 . . . . 0.0 110.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.77 -29.46 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.516 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -47.37 -32.03 4.52 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.972 0.909 . . . . 0.0 112.461 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -57.56 -34.16 68.88 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 123.22 0.608 . . . . 0.0 111.527 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 123.3 18.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.142 0.977 . . . . 0.0 110.636 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.93 -69.57 0.51 Allowed 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -157.67 -55.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.888 0.475 . . . . 0.0 110.502 -176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -54.21 -49.56 69.13 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -53.71 -53.14 56.35 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 127.92 2.488 . . . . 0.0 109.88 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.93 -55.16 33.72 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.585 0.629 . . . . 0.0 110.446 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.15 -51.92 67.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.595 0.712 . . . . 0.0 110.772 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.47 73.99 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.232 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 HMB1 ' A' ' 80' ' ' HEC . 1.8 tp -66.34 -45.52 79.94 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -52.72 64.39 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.435 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -52.29 -51.43 58.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.213 0.205 . . . . 0.0 111.181 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.52 -57.35 12.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.133 0.973 . . . . 0.0 109.996 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 mtm -57.22 -29.7 63.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.953 0.501 . . . . 0.0 111.672 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -70.89 -3.85 21.33 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 117.814 -1.088 . . . . 0.0 113.096 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.29 45.48 2.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 N--CA 1.426 -1.629 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.081 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.719 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.36 -149.86 0.42 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.29 -62.32 4.49 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.94 -48.06 32.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.877 1.271 . . . . 0.0 112.063 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -48.01 63.27 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.427 0.691 . . . . 0.0 111.506 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.28 -41.37 70.1 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 124.029 0.932 . . . . 0.0 109.77 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.04 -30.6 11.11 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.163 1.385 . . . . 0.0 112.441 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -46.8 -26.34 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.928 0.891 . . . . 0.0 112.371 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -84.47 -25.3 29.0 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.901 1.281 . . . . 0.0 112.386 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.96 -35.41 14.72 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 111.056 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 pt -52.98 142.3 5.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -46.56 1.15 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.92 -53.69 4.48 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.361 1.58 . . . . 0.0 107.935 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.07 -14.43 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.84 163.21 13.41 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.752 0.692 . . . . 0.0 111.979 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.89 62.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.575 1.15 . . . . 0.0 112.439 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -83.4 -3.67 57.76 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.095 0.958 . . . . 0.0 112.92 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.32 58.15 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.238 -0.757 . . . . 0.0 113.808 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -95.91 -17.57 20.96 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -78.7 45.4 0.59 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.656 1.571 . . . . 0.0 113.205 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.62 -113.04 0.75 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.49 -159.32 0.62 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 128.385 2.674 . . . . 0.0 104.803 170.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -81.44 65.24 6.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.617 1.099 . . . . 0.0 108.779 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.85 170.06 18.1 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.8 m -71.98 65.4 0.55 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.069 0.948 . . . . 0.0 111.3 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.92 154.62 17.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.792 1.237 . . . . 0.0 109.588 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.26 115.16 12.08 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 144.34 97.25 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 CA-C-N 119.93 1.011 . . . . 0.0 109.639 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -51.4 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 tptp 39.12 -96.91 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.822 1.649 . . . . 0.0 108.796 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.02 59.14 0.44 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -41.35 -53.91 3.17 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.072 1.415 . . . . 0.0 109.823 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.07 132.45 1.34 Allowed Glycine 0 CA--C 1.524 0.655 0 CA-C-N 112.19 -2.277 . . . . 0.0 108.888 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -44.81 9.84 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 119.767 1.783 . . . . 0.0 113.438 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.47 -48.91 77.53 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 118.786 0.721 . . . . 0.0 110.0 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -60.16 3.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.108 1.763 . . . . 0.0 108.809 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD23 HMA3 ' A' ' 80' ' ' HEC . 23.2 mt -57.23 -46.73 82.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.549 1.54 . . . . 0.0 110.418 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.87 -52.21 66.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.38 -50.69 72.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -60.51 -50.75 72.33 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.794 0.838 . . . . 0.0 111.367 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -63.71 -40.16 96.09 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.026 -0.421 . . . . 0.0 110.052 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -59.96 -44.5 94.4 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.79 -53.33 22.25 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 125.937 1.732 . . . . 0.0 109.559 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.88 -49.45 76.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.884 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.07 61.49 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.146 0.578 . . . . 0.0 111.784 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.96 -38.46 86.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.424 0.69 . . . . 0.0 110.813 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.88 2.33 36.61 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.536 1.065 . . . . 0.0 111.384 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.95 89.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.218 1.009 . . . . 0.0 109.077 176.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -106.74 142.3 36.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -161.81 35.58 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 119.153 0.888 . . . . 0.0 111.442 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.32 -169.6 38.46 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 106.447 -2.661 . . . . 0.0 106.447 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.4 -76.59 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.986 0.893 . . . . 0.0 111.455 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -53.0 -38.54 62.4 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.368 0.604 . . . . 0.0 111.535 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -50.42 -31.27 14.53 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.954 1.301 . . . . 0.0 111.21 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.54 -41.03 6.14 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.07 -52.04 65.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.519 0.676 . . . . 0.0 109.994 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.406 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.0 ttp -57.27 -50.56 72.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.607 1.163 . . . . 0.0 108.63 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -48.73 -55.61 10.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.777 1.231 . . . . 0.0 109.747 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -43.38 90.61 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.331 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.42 -59.66 5.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.201 0.455 . . . . 0.0 110.865 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 57' ' ' MET . 21.3 m -62.58 -30.16 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.617 -0.677 . . . . 0.0 111.877 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.98 -25.82 58.93 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.13 0.877 . . . . 0.0 111.237 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -19.29 62.76 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.666 0.666 . . . . 0.0 111.832 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.08 132.74 35.38 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.85 1.26 . . . . 0.0 111.469 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -79.63 167.89 20.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -46.11 -45.17 16.23 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -57.33 -48.74 78.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 C-N-CA 124.621 1.168 . . . . 0.0 110.255 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.91 -45.66 81.14 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.255 1.822 . . . . 0.0 110.479 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.5 -52.99 51.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -60.83 -41.67 96.23 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.811 -0.556 . . . . 0.0 110.297 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.42 75.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -52.9 63.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 119.216 0.916 . . . . 0.0 108.738 177.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.07 74.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.656 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.15 -53.92 46.72 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.134 0.574 . . . . 0.0 111.45 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.16 -59.92 3.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.6 mtm -57.53 -46.65 83.61 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.453 1.101 . . . . 0.0 111.537 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -73.93 30.73 0.08 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 120.03 -1.669 . . . . 0.0 113.205 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -153.64 34.66 0.45 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.433 -1.316 0 C-N-CA 126.616 1.966 . . . . 0.0 107.51 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.708 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -74.58 50.21 0.42 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.94 -59.68 2.19 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.211 -0.931 . . . . 0.0 113.91 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -37.7 -55.22 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 113.545 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.02 -37.32 52.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.408 1.083 . . . . 0.0 112.05 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.69 -52.88 6.71 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 108.397 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.57 -43.09 7.83 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 125.661 1.584 . . . . 0.0 112.947 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -47.05 -30.27 2.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -46.18 37.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.807 0.813 . . . . 0.0 110.233 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -58.56 -31.29 67.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.1 1.76 . . . . 0.0 109.984 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.7 mt -43.75 -37.3 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.278 0 C-N-CA 124.429 1.092 . . . . 0.0 110.949 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.05 -38.79 6.24 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.342 0.496 . . . . 0.0 112.519 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.0 m -106.89 -36.98 6.49 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -87.05 -16.61 35.12 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.5 174.64 46.46 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.394 -1.883 . . . . 0.0 108.394 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 46.13 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.186 -1.185 . . . . 0.0 112.477 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 179.93 -47.13 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.062 1.345 . . . . 0.0 112.356 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.35 53.54 0.21 Allowed Glycine 0 C--N 1.335 0.479 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.0 p -110.88 -57.7 2.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.173 1.389 . . . . 0.0 114.139 -172.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -66.71 31.66 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -167.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.57 21.93 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.569 2.348 . . . . 0.0 117.261 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 33.88 -123.67 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.0 1.72 . . . . 0.0 113.269 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.37 79.68 0.25 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.544 0.688 . . . . 0.0 111.825 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.08 -55.53 3.14 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.814 1.197 . . . . 0.0 115.669 171.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -151.13 46.3 0.83 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 118.997 1.398 . . . . 0.0 113.541 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.83 141.54 49.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.779 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -60.81 130.46 90.79 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.28 140.13 62.68 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 121.045 1.163 . . . . 0.0 111.456 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -82.7 -32.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.567 1.147 . . . . 0.0 110.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -37.95 99.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.758 1.623 . . . . 0.0 111.66 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.74 44.43 60.56 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 117.537 -1.702 . . . . 0.0 115.585 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.06 -57.37 10.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 121.103 2.451 . . . . 0.0 110.325 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.44 150.68 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 127.148 2.308 . . . . 0.0 109.376 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.87 88.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.677 1.738 . . . . 0.0 111.176 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -59.69 -58.06 10.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.38 -62.31 1.56 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 126.618 1.967 . . . . 0.0 109.319 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD23 HMA3 ' A' ' 80' ' ' HEC . 34.9 mt -53.11 -62.21 1.8 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.714 0.806 . . . . 0.0 109.62 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.04 -51.97 12.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 119.616 1.098 . . . . 0.0 112.042 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -57.0 -46.89 81.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.678 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -61.25 -56.23 22.96 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.131 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.415 ' SD ' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -53.86 -44.16 70.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 120.518 1.508 . . . . 0.0 110.576 178.123 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -61.26 -46.78 88.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.279 0.491 . . . . 0.0 110.687 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.8 -49.76 64.55 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.278 0.942 . . . . 0.0 111.122 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -60.82 -53.91 51.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.485 0.714 . . . . 0.0 109.63 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.77 72.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.964 0.506 . . . . 0.0 111.32 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.95 -36.73 85.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.948 0.899 . . . . 0.0 110.249 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.82 18.17 28.27 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.407 1.003 . . . . 0.0 111.735 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -89.4 -63.52 1.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -76.77 67.37 2.83 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.343 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.52 -145.18 5.81 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.267 0.937 . . . . 0.0 110.795 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.85 -145.91 13.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -87.79 0.05 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.326 1.05 . . . . 0.0 111.899 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -51.65 -32.79 30.81 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 119.645 1.112 . . . . 0.0 110.943 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -46.48 -25.83 0.75 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.141 2.576 . . . . 0.0 112.762 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.38 -40.67 50.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.817 -0.552 . . . . 0.0 110.731 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.9 -52.77 63.99 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.2 mmm -52.87 -52.0 59.03 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.107 1.363 . . . . 0.0 110.151 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 m -48.54 -57.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.437 1.495 . . . . 0.0 108.961 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -41.5 93.77 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -54.78 43.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.876 0.307 . . . . 0.0 110.479 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.24 -33.46 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.446 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -29.79 39.31 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.945 0.793 . . . . 0.0 111.579 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -68.17 -19.98 64.84 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.2 27.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.071 1.348 . . . . 0.0 110.549 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -89.7 171.91 9.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.536 1.134 . . . . 0.0 109.825 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -50.28 -47.68 55.33 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.249 -0.907 . . . . 0.0 112.641 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.45 -54.7 24.26 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-O 122.037 0.922 . . . . 0.0 109.872 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.51 -47.48 85.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.728 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -57.29 -48.48 78.8 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.726 1.21 . . . . 0.0 109.723 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -58.19 -47.74 82.49 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.15 86.35 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.0 -50.6 71.41 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.18 -57.24 11.16 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.222 0.326 . . . . 0.0 110.796 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.55 -47.48 63.4 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.676 0.39 . . . . 0.0 111.378 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.57 -57.8 11.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.372 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.442 ' HE1' HMB3 ' A' ' 80' ' ' HEC . 21.3 mtm -59.4 -26.99 65.61 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.857 0.863 . . . . 0.0 112.952 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -66.01 -19.97 66.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.623 0.647 . . . . 0.0 112.565 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -118.04 48.49 1.39 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 19.0 tp . . . . . 0 N--CA 1.43 -1.426 0 CA-C-O 116.375 -1.774 . . . . 0.0 108.939 -170.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.688 HMB1 HBB3 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.083 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -39.84 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.055 2.542 . . . . 0.0 116.4 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.88 -64.2 0.9 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 126.202 1.858 . . . . 0.0 114.465 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.32 -51.4 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.43 1.492 . . . . 0.0 112.392 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.1 89.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.885 0.474 . . . . 0.0 112.252 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.45 -49.77 51.82 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 123.535 0.734 . . . . 0.0 109.666 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -46.25 -38.99 9.23 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -44.43 -37.3 3.33 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 111.922 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.75 34.35 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.024 0.916 . . . . 0.0 110.218 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -57.27 -38.3 73.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.15 2.18 . . . . 0.0 110.467 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -47.16 -34.49 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.058 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.3 -36.72 10.85 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.256 0.455 . . . . 0.0 112.4 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.19 -38.4 6.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.564 0.746 . . . . 0.0 110.831 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -79.51 -21.68 44.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.65 46.7 73.77 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.266 0.936 . . . . 0.0 114.49 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.67 -70.19 0.08 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.252 1.421 . . . . 0.0 112.324 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.36 31.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.264 1.026 . . . . 0.0 112.303 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 29.2 47.24 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.601 2.525 . . . . 0.0 116.169 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -135.78 -18.7 1.62 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.91 150.54 47.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.78 1.173 . . . . 0.0 109.729 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 125.92 25.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.31 -131.11 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.29 69.7 1.61 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.01 30.48 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 p -66.11 111.86 3.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.32 1.048 . . . . 0.0 109.498 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.39 130.24 47.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.864 1.265 . . . . 0.0 108.62 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 110.04 1.09 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.604 1.561 . . . . 0.0 109.389 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.68 113.77 1.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.12 2.547 . . . . 0.0 114.678 -175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -45.8 -43.35 4.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 125.335 1.454 . . . . 0.0 110.654 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -29.88 87.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.29 2.636 . . . . 0.0 111.353 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.11 52.84 9.71 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.952 1.263 . . . . 0.0 115.895 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -50.57 64.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 123.631 1.682 . . . . 0.0 108.041 174.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.46 153.16 6.02 Favored Glycine 0 C--O 1.227 -0.291 1 C-N-CA 131.406 4.336 . . . . 0.0 106.239 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.55 98.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.813 0.806 . . . . 0.0 110.822 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.83 -54.94 40.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.279 0.632 . . . . 0.0 109.887 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.42 -56.75 12.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 125.918 1.687 . . . . 0.0 109.679 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.41 -65.45 0.56 Allowed 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -42.9 -49.94 5.83 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.184 0.994 . . . . 0.0 112.409 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -53.34 -47.94 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.756 0.253 . . . . 0.0 110.82 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.62 -47.64 53.21 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 117.492 -1.242 . . . . 0.0 112.104 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 121.316 1.871 . . . . 0.0 110.152 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.2 -47.84 72.6 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.92 -51.92 42.55 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.341 0.972 . . . . 0.0 111.085 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -58.73 -55.58 33.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 109.456 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.55 75.41 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.513 -0.742 . . . . 0.0 111.976 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.11 -39.13 86.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.273 1.029 . . . . 0.0 109.676 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.25 30.39 8.26 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.416 1.008 . . . . 0.0 110.954 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -100.62 -71.4 0.71 Allowed 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.74 134.66 53.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 174.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.32 -172.55 44.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.07 162.24 26.12 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 107.319 -2.312 . . . . 0.0 107.319 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -49.04 -55.8 10.96 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.426 1.113 . . . . 0.0 111.598 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -57.19 -23.46 47.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -89.74 -1.78 58.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.837 1.255 . . . . 0.0 111.464 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.93 58.89 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.688 1.131 . . . . 0.0 113.46 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -55.72 -56.18 23.56 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.308 0.575 . . . . 0.0 109.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.2 ttp -52.12 -47.4 65.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.39 1.076 . . . . 0.0 110.171 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.4 m -54.16 -52.79 60.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.046 0.938 . . . . 0.0 109.03 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -40.85 90.23 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 122.124 -0.36 . . . . 0.0 110.417 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -56.3 23.96 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.115 0.416 . . . . 0.0 110.15 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.03 -30.55 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.698 -0.626 . . . . 0.0 111.6 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -31.3 62.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.005 0.82 . . . . 0.0 109.991 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -79.45 -11.71 59.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.208 0.603 . . . . 0.0 112.359 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.64 143.2 26.63 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.748 1.219 . . . . 0.0 110.363 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -87.62 171.44 10.47 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.31 -41.24 65.45 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 0.0 112.486 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -59.9 -52.55 64.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.668 1.187 . . . . 0.0 109.668 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.82 -50.36 72.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.737 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -56.26 -52.79 63.18 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 124.704 1.201 . . . . 0.0 111.534 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -56.7 -45.52 81.77 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 118.351 0.523 . . . . 0.0 110.393 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.83 74.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.72 -48.22 69.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.96 -55.65 25.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.09 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -53.49 -45.74 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.04 0.536 . . . . 0.0 111.039 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -56.46 -59.62 4.71 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.62 -26.7 67.21 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.515 0.726 . . . . 0.0 112.945 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 p -68.02 -18.93 64.85 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.258 -0.902 . . . . 0.0 112.481 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -106.74 41.87 1.38 Allowed 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.312 0.645 . . . . 0.0 110.971 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.426 -1.641 0 C-N-CA 126.335 1.854 . . . . 0.0 106.032 177.753 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.64 HBB2 ' HHC' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 117.394 -1.289 . . . . 0.0 107.622 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -155.33 -101.63 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.195 0.998 . . . . 0.0 108.811 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.26 -57.33 3.67 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.108 1.337 . . . . 0.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.56 -51.47 15.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.937 0.895 . . . . 0.0 112.685 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.95 88.97 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.112 -0.368 . . . . 0.0 111.739 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.92 -44.02 94.17 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.776 1.23 . . . . 0.0 110.255 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -51.58 -43.73 62.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -30.24 -64.6 0.12 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 126.551 1.94 . . . . 0.0 113.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -53.1 -37.09 61.43 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -61.99 -24.63 67.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.347 1.459 . . . . 0.0 111.104 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -49.09 -34.16 6.44 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 123.475 0.71 . . . . 0.0 109.563 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.54 -36.88 6.32 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.018 0.818 . . . . 0.0 113.076 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.4 m -113.01 -31.4 6.69 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.094 0.947 . . . . 0.0 111.475 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.84 -19.71 17.97 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.73 165.09 34.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.69 -61.77 2.0 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 123.808 0.843 . . . . 0.0 111.063 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -90.4 36.93 0.89 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.915 0.886 . . . . 0.0 112.032 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.71 36.99 1.83 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.47 1.986 . . . . 0.0 114.175 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -83.29 -41.41 18.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.789 1.636 . . . . 0.0 113.508 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -64.78 131.16 46.05 Favored 'General case' 0 N--CA 1.421 -1.886 0 C-N-CA 123.841 0.857 . . . . 0.0 110.707 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.5 41.21 0.25 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.154 1.382 . . . . 0.0 111.555 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 44.46 -142.34 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.138 1.775 . . . . 0.0 111.765 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.1 mmt -115.47 43.04 2.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.62 1.168 . . . . 0.0 108.38 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.3 44.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.001 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 48.79 45.0 22.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.839 0.855 . . . . 0.0 112.221 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.06 146.66 54.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.863 0.465 . . . . 0.0 110.751 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 132.51 95.05 Favored Pre-proline 0 C--O 1.234 0.269 0 N-CA-C 102.913 -2.995 . . . . 0.0 102.913 170.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -57.57 139.12 89.2 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 N-CA-C 108.977 -1.201 . . . . 0.0 108.977 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -62.62 -43.73 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -27.8 89.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 128.28 2.632 . . . . 0.0 112.194 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.75 41.78 5.88 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.547 -1.14 . . . . 0.0 115.84 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.313 5.5 pt20 -58.6 -36.24 73.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.432 1.616 . . . . 0.0 110.531 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.18 135.55 2.26 Favored Glycine 0 C--O 1.218 -0.903 0 C-N-CA 126.203 1.859 . . . . 0.0 111.586 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.98 -36.61 50.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.573 2.187 . . . . 0.0 112.362 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.28 -55.63 23.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -49.14 -61.03 2.29 Favored 'General case' 0 N--CA 1.458 -0.031 0 C-N-CA 125.898 1.679 . . . . 0.0 108.857 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 HMA3 ' A' ' 80' ' ' HEC . 76.0 mt -53.69 -50.02 66.77 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.314 2.246 . . . . 0.0 110.711 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.21 -47.52 85.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.482 1.037 . . . . 0.0 110.837 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -60.44 -52.78 63.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.657 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.0 -41.98 81.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.8 0.84 . . . . 0.0 110.905 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -67.16 -42.24 84.65 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.673 0.67 . . . . 0.0 109.799 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -40.46 97.67 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' A' ' 49' ' ' TYR . . . -43.48 -63.69 2.06 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 127.533 2.492 . . . . 0.0 110.178 172.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -60.29 -49.92 75.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.875 -1.163 . . . . 0.0 110.256 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.31 72.77 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.38 0.672 . . . . 0.0 112.074 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.56 -45.15 60.64 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.72 34.93 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.147 0.879 . . . . 0.0 111.866 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 p -68.3 -60.99 2.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.434 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 43.7 t80 -76.35 74.31 3.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.93 -177.36 42.17 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.74 162.46 9.27 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.711 1.148 . . . . 0.0 110.912 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 42.3 -118.41 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.301 1.84 . . . . 0.0 111.116 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.24 -32.83 68.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 124.092 0.957 . . . . 0.0 111.873 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -73.48 -13.03 60.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.0 0.92 . . . . 0.0 110.927 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.0 80.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.232 0.469 . . . . 0.0 111.493 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.6 mtm -58.07 -56.13 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.354 0.662 . . . . 0.0 109.459 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.452 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.3 ttp -52.78 -51.54 60.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.712 1.205 . . . . 0.0 109.077 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -47.97 -57.65 5.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.248 1.019 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -37.74 87.48 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.812 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.16 2.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.518 0.599 . . . . 0.0 110.407 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 57' ' ' MET . 13.8 m -63.56 -28.49 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.787 -0.571 . . . . 0.0 112.054 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.48 -29.01 14.92 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.284 0.947 . . . . 0.0 112.169 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -63.59 -30.31 71.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.832 0.742 . . . . 0.0 111.89 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.54 128.98 36.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.849 1.26 . . . . 0.0 111.363 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -86.3 175.77 8.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -47.44 -44.58 25.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.54 -51.36 69.77 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.913 0.863 . . . . 0.0 110.32 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.03 -52.02 67.57 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 126.528 1.931 . . . . 0.0 109.866 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.97 -55.13 29.99 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.58 0.752 . . . . 0.0 109.869 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.46 -49.85 69.12 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.955 0.902 . . . . 0.0 109.714 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.08 74.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.973 -0.537 . . . . 0.0 112.35 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.31 -46.3 70.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.75 -52.28 64.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.61 -49.98 66.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.393 0.277 . . . . 0.0 110.947 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.86 -59.78 4.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 110.201 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.5 mtm -54.11 -29.29 44.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 112.43 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -74.29 -1.82 22.36 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.696 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.56 50.12 1.88 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.253 1.285 0 CA-C-O 115.821 -2.038 . . . . 0.0 106.11 -171.577 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.452 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.07 152.66 3.06 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.337 1.055 . . . . 0.0 110.425 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.0 -69.74 2.42 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -54.72 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.116 1.366 . . . . 0.0 111.758 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.14 75.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 122.393 0.277 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.79 -43.42 88.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.398 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.49 -30.64 42.18 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.27 -34.56 57.73 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.901 -0.499 . . . . 0.0 111.423 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -82.32 6.27 17.51 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.606 0.762 . . . . 0.0 113.002 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -120.51 -37.32 3.04 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.946 1.698 . . . . 0.0 109.173 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.52 151.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.435 1.094 . . . . 0.0 108.19 172.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.7 -51.61 3.59 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.505 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.4 t -76.26 -46.84 26.12 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.845 1.822 . . . . 0.0 107.116 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.544 ' CE1' HG21 ' A' ' 29' ' ' VAL . 57.2 m-70 -76.42 -21.75 55.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.363 1.465 . . . . 0.0 112.006 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.64 -128.15 9.48 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 106.727 -2.549 . . . . 0.0 106.727 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.97 -70.15 0.83 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -84.71 49.91 1.8 Allowed 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 125.005 1.322 . . . . 0.0 110.981 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 28.8 47.88 0.08 OUTLIER Glycine 0 CA--C 1.532 1.151 0 C-N-CA 128.092 2.758 . . . . 0.0 116.296 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -107.6 -18.98 13.7 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.02 121.45 14.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 120.035 1.289 . . . . 0.0 110.929 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.24 41.93 0.55 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.89 0.876 . . . . 0.0 109.604 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.12 -114.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 131.212 3.805 . . . . 0.0 118.295 -170.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.7 mtm -61.69 91.99 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.86 59.28 4.82 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.895 1.236 . . . . 0.0 114.801 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m 58.9 55.6 4.47 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.125 0.97 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 146.3 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.643 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -63.72 143.51 98.02 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.14 146.3 86.53 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 N-CA-C 108.34 -1.446 . . . . 0.0 108.34 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' A' ' 14' ' ' HIS . 12.3 t -93.41 -29.29 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.459 0.703 . . . . 0.0 110.932 -174.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -36.45 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.309 1.844 . . . . 0.0 111.432 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.4 47.16 51.63 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.115 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -53.5 -50.55 65.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.875 2.337 . . . . 0.0 108.956 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.09 155.15 7.01 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 128.701 3.048 . . . . 0.0 109.202 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.11 99.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.062 0.931 . . . . 0.0 111.972 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.73 -53.2 57.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -50.51 -61.51 2.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 125.825 1.65 . . . . 0.0 109.002 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD23 HMA3 ' A' ' 80' ' ' HEC . 47.4 mt -52.64 -61.51 2.24 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.149 0.98 . . . . 0.0 109.182 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -44.07 -52.65 6.99 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.168 0.895 . . . . 0.0 111.74 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.06 -46.65 85.05 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.94 0.15 . . . . 0.0 110.793 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.23 -57.26 13.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.506 0.722 . . . . 0.0 111.542 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.31 86.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.156 1.344 . . . . 0.0 111.202 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -60.85 -46.74 89.4 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.31 77.11 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.277 0.942 . . . . 0.0 111.127 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.38 -53.72 53.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.24 77.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.755 0.822 . . . . 0.0 111.787 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -61.71 -36.56 81.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.907 0.883 . . . . 0.0 109.719 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.48 29.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 p -93.33 -65.4 1.0 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -74.94 71.28 2.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.81 170.11 41.1 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.47 160.81 11.13 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 108.538 -1.825 . . . . 0.0 108.538 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 34.06 -114.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.647 1.979 . . . . 0.0 112.684 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -53.69 -31.58 48.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.545 1.538 . . . . 0.0 112.984 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -78.55 -6.65 56.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.474 0.71 . . . . 0.0 111.873 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.34 -41.77 66.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.854 0.752 . . . . 0.0 111.078 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.1 -47.9 83.56 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.33 0.652 . . . . 0.0 109.733 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' HG22 ' A' ' 61' ' ' VAL . 1.4 mtm -58.53 -52.61 64.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -47.47 -56.13 7.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.042 0.537 . . . . 0.0 109.685 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -47.97 78.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.767 0.712 . . . . 0.0 110.778 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.27 -60.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.919 0.327 . . . . 0.0 111.074 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 57' ' ' MET . 8.6 m -70.91 -23.42 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.752 -0.593 . . . . 0.0 112.415 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -59.4 -29.84 68.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.04 1.291 . . . . 0.0 109.928 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -73.41 -12.4 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.28 -168.2 2.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.454 1.502 . . . . 0.0 109.214 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.0 m -157.31 176.96 12.0 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.897 1.679 . . . . 0.0 108.254 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -44.03 -53.26 6.45 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -173.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.08 -54.68 14.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.557 1.143 . . . . 0.0 110.521 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.7 -51.59 68.74 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.996 -1.457 . . . . 0.0 110.268 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.47 -49.82 73.54 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.953 1.301 . . . . 0.0 111.14 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -58.62 -50.5 73.59 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.72 78.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.93 -51.6 67.47 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.23 -54.77 39.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.724 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -50.4 -43.99 54.83 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.21 0.604 . . . . 0.0 111.223 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -57.69 -60.78 3.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.401 0.619 . . . . 0.0 109.889 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.7 mtm -59.61 -24.56 63.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.137 0.975 . . . . 0.0 113.334 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.0 m -67.54 -17.64 64.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 123.813 0.845 . . . . 0.0 112.719 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -131.64 64.32 1.59 Allowed 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 26.5 tp . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 116.462 -1.733 . . . . 0.0 107.814 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.795 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 117.264 -1.35 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -150.21 169.03 22.3 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.72 0.808 . . . . 0.0 108.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -29.57 -53.26 0.17 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.751 2.119 . . . . 0.0 114.549 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.52 98.93 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.767 0.784 . . . . 0.0 112.594 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.06 57.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -49.8 -48.5 50.65 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 125.325 1.45 . . . . 0.0 111.636 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -47.31 -31.8 4.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.376 1.07 . . . . 0.0 113.747 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -48.49 -39.72 24.06 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.959 0.345 . . . . 0.0 110.923 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -62.91 -22.66 66.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.98 -23.86 22.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.818 1.247 . . . . 0.0 111.36 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.61 141.59 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.01 -42.44 1.9 Allowed Glycine 0 CA--C 1.521 0.468 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -96.76 -40.99 8.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.628 1.214 . . . . 0.0 108.65 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -105.56 -27.96 11.06 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.57 -159.1 20.39 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.63 -47.0 28.34 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.25 1.025 . . . . 0.0 112.757 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -85.44 -65.06 1.05 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.208 0.603 . . . . 0.0 109.91 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.64 41.79 0.03 OUTLIER Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.964 1.745 . . . . 0.0 109.851 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 p -101.53 -38.91 7.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -172.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -58.96 134.73 57.22 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 124.139 0.976 . . . . 0.0 113.195 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 115.11 7.93 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.66 -122.82 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.938 0.895 . . . . 0.0 110.445 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.1 83.42 0.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.67 -167.35 38.57 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -69.34 57.81 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.152 1.781 . . . . 0.0 113.406 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 137.24 57.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 110.048 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.32 119.61 29.18 Favored Pre-proline 0 N--CA 1.435 -1.185 0 C-N-CA 124.528 1.131 . . . . 0.0 108.063 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.23 136.84 55.1 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.888 1.725 . . . . 0.0 110.197 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -85.1 -35.05 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.935 0.894 . . . . 0.0 109.585 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.56 113.42 0.64 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.451 1.1 . . . . 0.0 108.744 176.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.0 77.99 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 116.941 -2.033 . . . . 0.0 117.596 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.51 -48.11 82.91 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.176 2.988 . . . . 0.0 108.154 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 143.19 4.27 Favored Glycine 0 C--O 1.219 -0.786 0 C-N-CA 128.886 3.136 . . . . 0.0 109.988 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.76 -48.25 15.41 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.181 1.392 . . . . 0.0 114.654 -177.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.32 73.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.731 0.696 . . . . 0.0 109.899 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.22 2.21 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.058 1.743 . . . . 0.0 107.904 177.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.0 mt -53.31 -63.42 1.15 Allowed 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.585 1.954 . . . . 0.0 109.221 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -41.69 -53.0 3.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.5 0.72 . . . . 0.0 110.956 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -59.17 -44.36 92.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.09 -44.73 71.91 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.154 -0.926 . . . . 0.0 112.433 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -41.51 90.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 121.251 1.841 . . . . 0.0 108.75 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -55.73 -44.43 77.52 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.46 ' CA ' ' HB3' ' A' ' 49' ' ' TYR . . . -43.66 -67.05 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 128.789 3.09 . . . . 0.0 110.71 173.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.46 -49.17 78.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.909 -1.145 . . . . 0.0 110.43 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.92 74.51 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.569 0.747 . . . . 0.0 111.747 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.06 -42.41 66.29 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.04 -15.09 40.28 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.983 0.801 . . . . 0.0 111.267 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -61.27 -61.13 2.77 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' HB3' ' CA ' ' A' ' 43' ' ' GLY . 55.0 t80 -76.58 72.22 3.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.73 179.97 30.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.03 162.39 35.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 106.996 -2.441 . . . . 0.0 106.996 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -43.75 -55.18 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.106 0.953 . . . . 0.0 113.5 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -59.86 -26.92 66.23 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -92.26 -1.96 56.76 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.156 1.383 . . . . 0.0 111.069 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.56 -44.87 66.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.991 0.814 . . . . 0.0 112.11 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 ptp -59.21 -46.07 89.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.687 0.395 . . . . 0.0 110.934 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.5 ttp -61.3 -50.25 73.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -46.68 -53.11 12.35 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.701 0.8 . . . . 0.0 109.618 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -43.31 99.1 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.178 0.899 . . . . 0.0 110.765 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.113 0.415 . . . . 0.0 110.618 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.2 m -78.71 -21.38 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.49 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -53.97 -35.51 61.87 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.079 1.308 . . . . 0.0 109.76 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -63.83 -22.16 66.78 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.696 0.798 . . . . 0.0 112.244 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.72 121.15 27.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.127 1.371 . . . . 0.0 111.127 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -82.75 -176.98 6.56 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.93 -49.57 62.86 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.51 -52.78 60.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.975 0.893 . . . . 0.0 109.302 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.5 -51.07 69.89 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.305 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 mt -57.19 -51.02 71.0 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.373 0.669 . . . . 0.0 110.496 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -57.56 -44.21 85.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.16 87.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.29 -0.256 . . . . 0.0 111.641 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD21 HMB1 ' A' ' 80' ' ' HEC . 9.4 tp -59.4 -49.64 77.02 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.9 53.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.938 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -48.67 -51.74 26.85 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.84 0.856 . . . . 0.0 111.279 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -49.8 -63.48 1.1 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.675 0.79 . . . . 0.0 110.211 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.3 mtm -61.82 -24.35 66.82 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -79.82 1.36 27.2 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.961 -1.018 . . . . 0.0 112.631 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -135.42 48.6 2.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -174.135 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.424 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 34.57 39.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.859 2.464 . . . . 0.0 116.694 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.19 -65.62 1.58 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.431 -0.793 . . . . 0.0 111.731 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.55 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.151 1.781 . . . . 0.0 113.184 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.9 71.94 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 118.539 0.609 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -41.05 -42.0 1.83 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.584 1.554 . . . . 0.0 113.839 -176.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -48.57 -39.5 23.88 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.918 1.287 . . . . 0.0 111.636 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -65.79 -22.65 66.59 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.319 1.048 . . . . 0.0 113.112 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -87.21 -24.78 24.31 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.525 1.53 . . . . 0.0 111.155 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.65 146.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 -47.95 1.33 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.0 -44.69 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.974 1.387 . . . . 0.0 107.419 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -93.5 -32.32 14.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.71 -172.28 14.48 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -69.44 0.28 Allowed 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -69.61 -48.96 58.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.892 0.877 . . . . 0.0 109.302 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.81 48.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 C-N-CA 126.478 1.99 . . . . 0.0 109.97 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -98.2 -27.37 14.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.761 2.024 . . . . 0.0 115.181 -173.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -80.5 144.02 32.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 119.834 1.197 . . . . 0.0 111.203 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.8 90.61 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.525 0.73 . . . . 0.0 110.375 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.64 143.78 3.62 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.303 0.641 . . . . 0.0 110.065 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.0 mtp 47.13 35.72 3.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.391 1.076 . . . . 0.0 111.413 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.52 34.33 27.15 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.976 1.274 . . . . 0.0 113.171 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -163.73 -28.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.51 143.55 40.28 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.69 142.84 98.05 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -66.06 150.24 85.42 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -92.48 -33.07 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 122.971 0.509 . . . . 0.0 111.363 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 113.65 0.86 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.63 33.73 83.39 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.057 -1.968 . . . . 0.0 116.64 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.88 -55.38 35.86 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 122.048 2.924 . . . . 0.0 107.828 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.35 142.47 3.41 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 111.983 -2.371 . . . . 0.0 109.535 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.3 76.69 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 119.344 1.572 . . . . 0.0 112.138 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -49.67 72.22 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -50.27 -61.05 2.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.366 1.066 . . . . 0.0 108.905 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.57 -60.06 3.8 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.398 1.079 . . . . 0.0 109.393 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -43.75 -57.53 3.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 119.566 1.076 . . . . 0.0 111.231 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.65 -49.27 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.317 -1.311 . . . . 0.0 110.711 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.39 -55.61 26.22 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.08 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -41.26 80.23 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 120.361 1.437 . . . . 0.0 110.668 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -62.71 -47.86 81.76 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.64 34.66 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.78 1.657 . . . . 0.0 110.664 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.1 -59.02 6.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.742 0.817 . . . . 0.0 109.164 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.62 55.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.104 0.561 . . . . 0.0 112.096 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.53 -39.07 85.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.628 0.771 . . . . 0.0 110.916 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.9 12.71 27.22 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.679 1.133 . . . . 0.0 111.647 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -41.6 26.19 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -96.34 151.57 19.4 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.81 -164.14 31.13 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.38 112.11 1.15 Allowed Glycine 0 CA--C 1.531 1.066 0 CA-C-N 117.76 0.78 . . . . 0.0 112.105 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 46.95 -107.2 0.16 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.797 1.639 . . . . 0.0 111.359 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -52.15 -35.41 48.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.969 1.707 . . . . 0.0 111.791 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -67.84 -5.52 17.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.974 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.83 98.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.926 0.784 . . . . 0.0 110.454 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -62.22 -53.11 59.92 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 tpt -48.68 -52.69 22.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.077 1.751 . . . . 0.0 109.289 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 m -53.32 -54.88 30.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.284 1.034 . . . . 0.0 110.043 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -40.65 76.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.635 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.47 8.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.01 0.368 . . . . 0.0 110.518 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -66.28 -32.58 58.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 121.874 -0.516 . . . . 0.0 112.336 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -54.9 -24.19 22.34 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.79 0.836 . . . . 0.0 112.436 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.19 -17.8 61.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.79 0.723 . . . . 0.0 112.092 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.7 179.07 6.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.836 1.254 . . . . 0.0 111.099 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 t -127.0 162.94 24.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 110.074 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -42.98 -49.87 5.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.095 1.358 . . . . 0.0 113.964 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -55.86 -44.36 77.99 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.836 0.854 . . . . 0.0 111.057 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.41 -54.19 46.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.67 -50.17 55.46 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.238 1.015 . . . . 0.0 112.233 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -50.6 70.44 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.352 0.596 . . . . 0.0 109.689 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.43 75.1 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.287 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD21 HMB1 ' A' ' 80' ' ' HEC . 1.6 tp -65.68 -49.88 66.97 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.77 -54.04 47.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.556 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.68 -51.73 62.28 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.372 -0.205 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -54.16 -57.01 12.75 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.321 1.048 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.11 -26.91 69.04 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.805 -0.559 . . . . 0.0 112.101 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -76.87 6.06 6.79 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.186 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -134.07 43.54 2.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 -174.109 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.473 HMB1 HBB3 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.26 110.18 0.2 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.125 2.17 . . . . 0.0 115.414 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.11 -69.51 1.3 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.759 1.647 . . . . 0.0 114.255 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.07 -57.98 9.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.431 1.492 . . . . 0.0 114.111 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.62 63.9 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.16 0.584 . . . . 0.0 111.774 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.95 -56.72 4.6 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -48.1 -41.24 25.78 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.616 1.166 . . . . 0.0 113.8 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.6 -32.24 12.37 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.778 0.717 . . . . 0.0 112.522 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -44.73 53.87 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 122.758 1.266 . . . . 0.0 110.166 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -33.36 69.44 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 129.342 3.057 . . . . 0.0 110.938 -175.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -46.03 -35.87 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.78 0.832 . . . . 0.0 109.332 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.47 -39.28 10.01 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.882 -0.954 . . . . 0.0 113.028 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 m -116.87 -12.14 10.79 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.714 1.257 . . . . 0.0 112.555 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -121.49 -5.79 9.27 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.04 -160.47 38.6 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 121.162 -0.961 . . . . 0.0 111.576 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.79 -55.5 5.43 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -80.49 45.57 0.78 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.194 1.397 . . . . 0.0 113.097 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 25.83 53.54 0.06 OUTLIER Glycine 0 CA--C 1.533 1.178 0 C-N-CA 127.947 2.689 . . . . 0.0 114.713 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -121.89 -109.06 0.34 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.024 0.912 . . . . 0.0 111.653 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt 41.06 110.93 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.954 3.302 . . . . 0.0 114.966 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.43 68.22 2.08 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.65 -91.45 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.373 1.469 . . . . 0.0 111.436 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 mmt -75.46 70.58 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.79 -172.28 54.83 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -64.59 69.2 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.079 1.752 . . . . 0.0 113.247 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 123.27 20.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.218 1.007 . . . . 0.0 110.288 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 131.26 63.98 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.94 93.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.709 1.606 . . . . 0.0 111.526 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG22 ' C1A' ' A' ' 80' ' ' HEC . 2.9 t -27.9 -47.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 129.371 3.068 . . . . 0.0 113.436 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -31.47 95.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.459 2.304 . . . . 0.0 111.12 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 42.74 97.26 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 117.824 -1.542 . . . . 0.0 116.942 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.15 -50.8 68.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.096 1.948 . . . . 0.0 106.75 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 143.74 3.76 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 128.573 2.987 . . . . 0.0 108.082 173.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -42.4 76.29 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.249 2.524 . . . . 0.0 111.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.11 -57.86 11.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.155 0.502 . . . . 0.0 109.715 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.76 -57.94 7.14 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 126.025 1.73 . . . . 0.0 109.614 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 HMA3 ' A' ' 80' ' ' HEC . 51.1 mt -51.07 -61.02 2.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 108.644 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -45.8 -55.07 7.04 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.312 0.96 . . . . 0.0 112.119 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -53.35 -46.19 69.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.166 0.291 . . . . 0.0 110.881 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -67.09 -42.04 85.31 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.395 1.078 . . . . 0.0 111.404 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.72 ' SD ' HMA1 ' A' ' 80' ' ' HEC . 1.8 mmt -58.68 -47.86 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 120.884 1.675 . . . . 0.0 108.62 175.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -58.24 -44.84 88.46 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.96 -64.77 1.59 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 127.865 2.65 . . . . 0.0 111.409 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -65.67 -51.73 57.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.66 -1.27 . . . . 0.0 109.772 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.37 65.4 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.977 -0.452 . . . . 0.0 111.761 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -93.22 20.2 7.23 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.698 0.399 . . . . 0.0 111.598 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.15 31.54 3.09 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.991 1.281 . . . . 0.0 113.562 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -99.59 -43.73 6.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.562 1.145 . . . . 0.0 108.396 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -95.06 135.33 36.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.69 42.51 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 119.999 1.272 . . . . 0.0 111.447 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.5 170.68 27.65 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.383 -2.287 . . . . 0.0 107.383 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -50.35 -55.16 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.971 0.885 . . . . 0.0 110.297 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.27 -22.02 50.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.436 1.094 . . . . 0.0 113.151 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -92.75 -24.57 18.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.078 0.951 . . . . 0.0 112.094 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.58 -58.43 0.49 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.6 ttt -54.31 -53.8 48.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.671 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -55.44 -47.91 75.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.814 0.846 . . . . 0.0 109.552 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.0 m -52.36 -53.71 41.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.034 0.934 . . . . 0.0 109.11 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.38 98.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.812 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.76 -60.07 4.42 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.086 0.403 . . . . 0.0 110.781 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.24 -31.83 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.802 -0.561 . . . . 0.0 111.081 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.12 -24.58 59.3 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.403 -0.81 . . . . 0.0 112.044 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -75.89 -7.39 54.42 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.878 0.763 . . . . 0.0 112.229 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.64 -169.32 1.68 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.863 1.265 . . . . 0.0 111.173 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -149.22 158.36 44.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.683 1.193 . . . . 0.0 107.951 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -40.46 -49.13 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -51.97 -53.64 39.04 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 122.028 0.918 . . . . 0.0 109.97 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.16 -48.5 81.28 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.221 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.5 mt -55.48 -50.87 68.77 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.487 1.115 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -58.87 -45.88 89.12 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.95 76.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD21 HMB1 ' A' ' 80' ' ' HEC . 4.9 tp -62.31 -50.06 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.97 -51.34 69.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.032 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.41 -52.21 47.97 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.612 0.365 . . . . 0.0 110.752 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -52.84 -62.45 1.64 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.176 0.991 . . . . 0.0 110.442 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.48 -22.66 66.42 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -87.17 11.46 13.97 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.099 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -137.98 43.78 2.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.422 -1.864 0 C-N-CA 127.459 2.304 . . . . 0.0 105.844 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.72 HMA1 ' SD ' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 118.349 -0.834 . . . . 0.0 108.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -58.22 149.4 24.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.215 0.606 . . . . 0.0 109.618 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.59 -71.39 2.53 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 107.388 -2.285 . . . . 0.0 107.388 -176.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.63 -47.9 19.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.969 1.707 . . . . 0.0 111.949 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.96 -35.89 16.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.475 1.11 . . . . 0.0 112.914 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.44 -47.84 6.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -44.6 -43.68 8.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.805 1.242 . . . . 0.0 112.198 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -42.06 -38.77 1.75 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -79.63 -41.71 26.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.863 0.756 . . . . 0.0 110.705 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.57 -30.98 33.74 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.517 2.327 . . . . 0.0 112.031 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.02 -38.86 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.844 1.258 . . . . 0.0 110.157 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.26 -41.94 3.08 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.053 0.835 . . . . 0.0 112.773 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 m -111.42 -45.65 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.261 1.03 . . . . 0.0 110.699 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' CE1' HG21 ' A' ' 29' ' ' VAL . 98.3 m-70 -87.16 -4.04 59.09 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.67 -178.09 32.83 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 120.837 -1.165 . . . . 0.0 111.1 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -51.27 65.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -157.95 76.75 0.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.749 0.819 . . . . 0.0 108.803 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.65 -27.2 0.06 OUTLIER Glycine 0 CA--C 1.523 0.585 0 C-N-CA 119.337 -1.411 . . . . 0.0 115.942 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t 67.74 85.44 0.14 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.879 1.339 . . . . 0.0 111.081 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -57.92 163.62 2.62 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.95 72.15 1.59 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -172.1 0.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.967 1.307 . . . . 0.0 111.558 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -23.89 111.71 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.714 2.006 . . . . 0.0 113.611 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.67 77.96 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 123.697 0.665 . . . . 0.0 113.369 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m 57.73 55.1 5.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.005 0.922 . . . . 0.0 109.798 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 142.42 29.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.71 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -54.33 121.64 32.79 Favored Pre-proline 0 N--CA 1.438 -1.051 0 C-N-CA 125.652 1.581 . . . . 0.0 107.813 173.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.01 131.73 47.73 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 121.037 1.158 . . . . 0.0 111.51 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 14' ' ' HIS . 8.3 t -80.0 -32.17 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.487 1.115 . . . . 0.0 109.764 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -37.65 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.723 2.409 . . . . 0.0 109.952 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 38.38 96.3 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.32 -54.0 50.89 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.401 2.101 . . . . 0.0 107.448 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.56 145.08 4.05 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 127.98 2.705 . . . . 0.0 110.347 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.66 -44.37 37.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.067 0.947 . . . . 0.0 112.976 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -64.64 -51.75 60.96 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.524 0.602 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -51.19 -58.47 6.05 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-O 122.108 0.956 . . . . 0.0 108.68 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD23 HMA3 ' A' ' 80' ' ' HEC . 64.4 mt -53.31 -61.54 2.23 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -43.9 -51.86 7.25 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.336 1.054 . . . . 0.0 111.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -57.23 -45.84 83.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.177 0.591 . . . . 0.0 111.081 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.36 -50.35 60.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.015 1.326 . . . . 0.0 111.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.431 ' SD ' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -57.86 -41.74 83.07 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.713 1.597 . . . . 0.0 109.878 174.327 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.27 -43.27 99.15 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.36 -57.81 3.61 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 128.168 2.794 . . . . 0.0 111.404 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -66.4 -53.52 34.95 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 109.865 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.25 56.71 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.181 0.592 . . . . 0.0 111.614 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.91 10.62 4.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.998 0.919 . . . . 0.0 111.89 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.58 38.69 14.78 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 125.434 1.492 . . . . 0.0 112.21 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -125.89 -49.02 1.61 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.853 0.461 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -78.49 56.49 1.79 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.761 -0.587 . . . . 0.0 111.472 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.11 179.95 20.98 Favored Glycine 0 CA--C 1.523 0.569 0 O-C-N 121.509 -0.744 . . . . 0.0 112.76 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.45 -177.52 47.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 44.71 -100.45 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.109 1.764 . . . . 0.0 112.5 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -56.5 -28.87 60.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.65 0.78 . . . . 0.0 112.24 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -90.89 2.17 56.4 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.697 1.199 . . . . 0.0 111.777 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.08 79.64 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.718 0.69 . . . . 0.0 112.674 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -57.94 -57.62 11.99 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.714 0.769 . . . . 0.0 109.524 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.2 ttp -53.56 -49.58 67.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.513 1.525 . . . . 0.0 109.684 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.6 m -51.93 -57.77 8.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.136 0.975 . . . . 0.0 109.529 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -39.67 81.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.56 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.68 18.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.1 -27.4 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.594 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -57.48 -29.17 64.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.969 0.804 . . . . 0.0 111.05 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.56 -11.24 59.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.062 0.545 . . . . 0.0 112.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.32 -158.53 0.48 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.383 1.473 . . . . 0.0 109.783 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 m -143.97 -86.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.891 -0.506 . . . . 0.0 112.082 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -144.02 -54.36 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.828 0.451 . . . . 0.0 110.288 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -45.75 -51.92 11.86 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.896 1.679 . . . . 0.0 109.305 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -53.74 -54.4 38.65 Favored 'General case' 0 N--CA 1.426 -1.64 0 C-N-CA 128.357 2.663 . . . . 0.0 110.361 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.82 -49.01 78.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.468 0.707 . . . . 0.0 110.46 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.47 -47.3 86.05 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.35 80.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.503 HD21 HMB1 ' A' ' 80' ' ' HEC . 13.3 tp -69.11 -43.72 73.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.27 73.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.74 -50.36 55.68 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.379 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -47.76 -61.48 1.93 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.229 0.922 . . . . 0.0 110.266 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 mtm -65.29 -20.76 66.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.395 1.078 . . . . 0.0 113.328 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -90.47 2.5 55.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.261 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -120.69 38.71 3.95 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -175.092 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.549 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.6 t70 34.77 66.03 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.092 2.557 . . . . 0.0 116.262 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.56 -69.95 0.71 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.084 1.326 . . . . 0.0 113.502 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.35 -59.42 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 110.75 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.88 50.4 1.97 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 111.241 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.45 -55.74 0.35 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 129.86 3.264 . . . . 0.0 105.812 170.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -42.25 -41.03 2.61 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 125.157 1.383 . . . . 0.0 112.191 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -37.85 -42.05 0.57 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.132 1.373 . . . . 0.0 112.856 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -70.68 -47.72 58.42 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.273 0.558 . . . . 0.0 110.829 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -57.71 -36.16 71.62 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.973 2.109 . . . . 0.0 109.8 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -48.22 -36.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 123.224 0.61 . . . . 0.0 109.939 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.66 -34.43 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.21 -0.772 . . . . 0.0 112.518 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -38.53 4.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.254 1.027 . . . . 0.0 111.741 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 29' ' ' VAL . 73.5 m-70 -83.22 -22.02 33.24 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.84 -171.98 54.71 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.221 0.608 . . . . 0.0 111.727 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -83.96 48.38 1.45 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.67 0.788 . . . . 0.0 111.236 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.79 47.77 0.49 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 127.126 2.298 . . . . 0.0 113.095 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -106.05 -13.08 15.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.973 1.709 . . . . 0.0 115.031 -170.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.98 153.17 30.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 119.249 0.931 . . . . 0.0 112.884 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.35 67.74 3.35 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 126.28 24.5 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.224 1.01 . . . . 0.0 109.366 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.52 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 29.3 mtp 46.47 33.91 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.675 1.19 . . . . 0.0 112.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.22 -133.29 11.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -62.57 97.01 0.09 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.308 1.043 . . . . 0.0 111.871 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.95 147.67 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.645 1.178 . . . . 0.0 108.727 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -60.69 122.3 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.91 91.24 0.63 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.558 1.505 . . . . 0.0 109.146 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG21 ' CE1' ' A' ' 14' ' ' HIS . 9.4 t -23.4 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 C-N-CA 129.291 3.036 . . . . 0.0 113.971 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 26.63 -92.88 0.01 OUTLIER 'General case' 0 C--N 1.344 0.335 0 O-C-N 126.699 2.499 . . . . 0.0 108.871 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.52 70.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-O 118.59 -1.117 . . . . 0.0 110.44 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -44.96 -53.26 7.87 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.821 1.296 . . . . 0.0 108.783 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.09 138.14 2.36 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 129.261 3.315 . . . . 0.0 107.912 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.74 -49.42 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.151 1.381 . . . . 0.0 113.155 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -58.95 -53.13 61.84 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.196 0.998 . . . . 0.0 110.082 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -56.9 -53.85 53.21 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.799 1.239 . . . . 0.0 109.396 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 mt -54.78 -60.69 3.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.783 -1.098 . . . . 0.0 108.528 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.25 -56.94 3.76 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 124.481 1.112 . . . . 0.0 111.372 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.55 -48.69 62.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.764 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -52.76 55.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.182 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -62.08 -33.13 73.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.365 1.438 . . . . 0.0 111.215 178.575 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.45 -50.25 70.48 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.16 30.95 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.796 1.188 . . . . 0.0 110.784 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.23 -54.32 39.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.129 0.972 . . . . 0.0 110.439 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.43 77.64 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.169 0.588 . . . . 0.0 111.407 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.92 14.62 14.74 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.148 1.356 . . . . 0.0 111.402 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -44.33 24.83 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -95.6 135.39 37.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.9 -164.88 27.42 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.47 143.92 6.59 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.131 0.872 . . . . 0.0 111.641 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 47.54 -98.33 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.33 1.852 . . . . 0.0 112.391 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -61.51 -41.14 96.86 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.635 0.731 . . . . 0.0 109.578 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -80.74 77.05 7.62 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 -64.83 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.904 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 tpp -53.94 -54.18 42.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.496 0.665 . . . . 0.0 109.207 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 ttp -50.5 -53.05 32.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.486 1.114 . . . . 0.0 109.532 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -50.05 -53.52 26.38 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.419 1.088 . . . . 0.0 110.503 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -38.33 90.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.772 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.92 -56.13 26.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 109.794 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.97 -25.83 37.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.612 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.71 -25.3 62.77 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.465 1.029 . . . . 0.0 109.826 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -74.1 -23.73 59.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.365 0.53 . . . . 0.0 111.628 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 132.86 37.58 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.245 1.018 . . . . 0.0 110.921 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.09 164.81 26.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.018 1.327 . . . . 0.0 110.748 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -49.67 -47.08 50.38 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.394 -0.816 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -60.89 -46.32 91.07 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.107 0.479 . . . . 0.0 110.083 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.28 -49.18 76.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -57.98 -53.04 62.7 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -54.04 -48.59 70.37 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.375 0.607 . . . . 0.0 109.736 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.53 70.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -48.99 59.04 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.39 34.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.063 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.2 -50.33 69.65 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.606 0.362 . . . . 0.0 111.364 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.8 -57.85 9.37 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.169 0.588 . . . . 0.0 110.404 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.1 mtm -60.46 -34.11 73.53 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 121.865 -0.522 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -66.46 3.41 0.96 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.983 -1.698 . . . . 0.0 113.229 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -139.65 49.59 1.79 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.304 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -173.233 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.634 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.31 145.22 8.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.261 1.024 . . . . 0.0 110.468 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.68 -63.74 2.66 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.09 -50.11 67.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.717 0.807 . . . . 0.0 111.525 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.38 81.65 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.583 0.23 . . . . 0.0 111.044 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.16 -45.13 91.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.916 0.886 . . . . 0.0 110.81 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.83 -27.71 65.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -44.75 -54.46 6.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.652 1.181 . . . . 0.0 112.857 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -66.52 -41.29 89.02 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.147 0.975 . . . . 0.0 111.447 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.13 -38.32 76.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 128.029 2.531 . . . . 0.0 110.768 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 C-N-CA 123.769 0.827 . . . . 0.0 110.181 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.16 -35.6 26.96 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.373 -0.681 . . . . 0.0 112.951 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -109.44 -29.24 8.52 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.144 0.972 . . . . 0.0 112.341 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -95.07 -29.86 14.37 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.87 -172.41 38.68 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -75.51 0.09 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.846 -0.796 . . . . 0.0 109.138 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.18 52.8 2.28 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.294 1.438 . . . . 0.0 109.975 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 21.18 51.36 0.01 OUTLIER Glycine 0 CA--C 1.536 1.377 0 C-N-CA 129.447 3.403 . . . . 0.0 116.956 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -122.79 -17.01 6.97 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -68.81 150.41 47.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.044 1.747 . . . . 0.0 110.564 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 128.39 36.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.3 -135.86 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mtp -74.16 70.36 1.59 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.233 -0.917 . . . . 0.0 108.624 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.77 -172.75 42.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -48.87 117.28 2.0 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.415 1.486 . . . . 0.0 111.83 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.18 141.41 32.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.165 0.986 . . . . 0.0 108.373 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 120.21 47.07 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.56 140.48 65.03 Favored 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 121.384 1.389 . . . . 0.0 111.234 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 t -77.96 -28.62 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -35.58 105.27 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.473 1.509 . . . . 0.0 111.331 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.25 45.22 15.72 Favored Glycine 0 N--CA 1.437 -1.26 0 C-N-CA 127.213 2.339 . . . . 0.0 114.928 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.7 -169.51 0.12 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.283 2.041 . . . . 0.0 108.136 171.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.76 124.67 7.38 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.5 -46.25 1.69 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.137 1.375 . . . . 0.0 113.261 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -65.14 -46.43 80.96 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.8 0.727 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.63 -54.29 48.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.733 HD23 HMA3 ' A' ' 80' ' ' HEC . 14.7 mt -51.73 -65.04 0.63 Allowed 'General case' 0 N--CA 1.428 -1.546 0 C-N-CA 125.723 1.609 . . . . 0.0 108.877 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -36.79 -60.97 0.57 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.148 1.779 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -53.15 -53.46 50.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.056 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.75 -51.56 68.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.453 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.26 77.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 121.167 1.803 . . . . 0.0 110.043 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.29 -45.69 93.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.957 0.798 . . . . 0.0 109.482 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.55 -47.78 81.56 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.584 1.088 . . . . 0.0 111.527 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -59.26 -56.09 26.51 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.469 1.108 . . . . 0.0 108.971 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.85 66.71 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.029 0.532 . . . . 0.0 110.756 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.66 -32.55 72.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.999 0.92 . . . . 0.0 111.069 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 20.63 41.89 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.961 0.791 . . . . 0.0 111.444 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -91.41 -65.39 1.01 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -74.17 71.76 1.68 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.54 -142.7 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.26 127.88 3.57 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.067 0.841 . . . . 0.0 112.024 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 40.82 -103.74 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.276 2.231 . . . . 0.0 112.997 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -50.21 -35.89 28.41 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.21 1.004 . . . . 0.0 112.044 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -72.11 -8.72 56.23 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.871 0.868 . . . . 0.0 112.57 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.34 86.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.119 0.872 . . . . 0.0 111.347 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.77 -53.56 57.04 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.8 ttp -52.05 -50.06 62.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.849 0.86 . . . . 0.0 110.013 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -46.52 -53.34 11.49 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.675 0.79 . . . . 0.0 109.8 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -41.43 98.2 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.437 0.562 . . . . 0.0 110.426 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.15 73.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.433 0.56 . . . . 0.0 110.591 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 57' ' ' MET . 2.0 t -71.3 -30.33 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.825 -0.547 . . . . 0.0 110.765 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -25.55 35.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.905 0.775 . . . . 0.0 111.749 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.39 -23.88 67.44 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 117.965 0.348 . . . . 0.0 111.806 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -173.92 3.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.478 1.911 . . . . 0.0 111.208 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 m -161.62 175.56 11.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.615 2.366 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -38.08 -59.34 0.86 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -54.02 -48.83 70.08 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.851 0.75 . . . . 0.0 111.42 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.76 -44.82 88.82 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 mt -58.6 -52.23 66.56 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 123.981 0.913 . . . . 0.0 109.349 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -57.06 -53.19 60.88 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.171 0.588 . . . . 0.0 109.474 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.33 81.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.71 -45.68 67.69 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.09 -52.78 57.51 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.655 0.207 . . . . 0.0 110.596 173.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -54.99 -51.04 67.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.891 0.476 . . . . 0.0 110.425 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -55.7 -62.96 1.34 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.409 0.683 . . . . 0.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 mtm -55.7 -31.98 62.92 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.791 1.236 . . . . 0.0 112.969 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -62.0 -11.22 12.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.615 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -137.48 53.64 1.86 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.267 34.3 tp . . . . . 0 N--CA 1.432 -1.333 0 CA-C-O 115.495 -2.193 . . . . 0.0 107.895 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.733 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 116.86 -1.543 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -156.48 153.24 28.48 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 120.032 1.287 . . . . 0.0 110.585 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -25.59 -63.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 127.582 2.515 . . . . 0.0 114.194 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.16 -53.65 46.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.197 0.498 . . . . 0.0 111.467 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.0 -31.72 61.25 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.356 0.662 . . . . 0.0 111.446 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -77.33 -57.07 4.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -51.01 -33.91 27.05 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.323 1.449 . . . . 0.0 113.767 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -21.29 9.56 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -22.44 25.45 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.962 1.305 . . . . 0.0 111.929 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 m -91.26 -32.87 15.58 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.181 1.792 . . . . 0.0 111.823 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -53.82 159.91 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.306 0.574 . . . . 0.0 110.034 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.27 -54.56 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.96 -59.78 2.57 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 71.9 m-70 -61.37 -34.41 75.27 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.507 1.923 . . . . 0.0 112.564 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.2 -137.42 13.66 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.5 -62.79 1.25 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -67.81 -41.37 83.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.803 0.841 . . . . 0.0 110.947 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 114.1 62.33 0.41 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 125.334 1.445 . . . . 0.0 109.675 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -107.15 -30.92 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.16 1.784 . . . . 0.0 114.106 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -75.72 132.2 40.35 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -171.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 72.45 5.07 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 169.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -105.28 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.931 2.092 . . . . 0.0 113.916 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.0 mtt -70.8 77.56 0.62 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.335 -0.853 . . . . 0.0 109.636 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.36 -173.83 46.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.86 0.743 . . . . 0.0 111.246 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -64.89 66.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.439 1.895 . . . . 0.0 113.626 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.98 130.97 35.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.732 1.213 . . . . 0.0 110.055 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -62.11 133.08 94.01 Favored Pre-proline 0 C--N 1.345 0.381 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -60.13 141.9 97.17 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 N-CA-C 108.635 -1.333 . . . . 0.0 108.635 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.29 -38.35 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.553 -174.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -31.54 89.45 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.677 2.391 . . . . 0.0 112.579 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.32 48.08 2.82 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.253 1.406 . . . . 0.0 114.333 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.299 5.3 pt20 -57.95 -27.02 63.03 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.855 1.828 . . . . 0.0 112.547 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.91 135.04 1.75 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 126.813 2.149 . . . . 0.0 108.592 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.98 92.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.6 2.2 . . . . 0.0 110.728 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -47.64 81.79 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -48.07 -59.06 3.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.983 1.713 . . . . 0.0 109.231 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' CD2' HMA3 ' A' ' 80' ' ' HEC . 61.7 mt -60.11 -58.26 9.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.83 1.252 . . . . 0.0 109.385 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -41.72 -60.3 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.671 1.123 . . . . 0.0 111.506 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.21 -45.43 61.89 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.174 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -69.6 -45.83 67.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.448 ' CE ' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -55.33 -45.95 76.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 121.045 1.748 . . . . 0.0 109.27 172.756 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.47 -41.59 90.07 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.58 -63.03 3.3 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 127.954 2.692 . . . . 0.0 110.644 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.48 -52.67 64.64 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.205 1.402 . . . . 0.0 110.036 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.13 69.42 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.453 0.701 . . . . 0.0 111.569 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.48 -33.62 71.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.76 -4.76 61.59 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 124.027 0.822 . . . . 0.0 112.285 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 p -73.95 -60.04 2.44 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -74.31 76.43 1.85 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.653 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.77 -171.44 39.65 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.97 148.05 6.88 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.515 1.055 . . . . 0.0 111.888 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 48.81 -101.03 0.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.54 1.936 . . . . 0.0 111.829 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -57.08 -42.38 80.58 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.536 1.134 . . . . 0.0 109.837 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -83.78 76.89 9.96 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.77 -68.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.273 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -53.51 -54.37 38.16 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -51.11 -54.19 27.37 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.38 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 m -50.4 -54.26 23.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.675 0.79 . . . . 0.0 111.023 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -36.98 84.59 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.6 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -58.92 6.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.779 0.718 . . . . 0.0 110.123 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.81 -32.5 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.065 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.04 -27.82 6.12 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.198 0.908 . . . . 0.0 112.728 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -62.78 -32.0 73.08 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.067 0.849 . . . . 0.0 111.488 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.23 127.36 32.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.131 1.372 . . . . 0.0 110.774 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 t -88.39 -175.03 4.85 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.37 -54.03 15.42 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -174.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.04 -57.88 2.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.472 1.109 . . . . 0.0 111.21 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -62.58 -47.65 82.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 125.771 1.629 . . . . 0.0 112.281 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.15 -48.17 79.36 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -60.52 -51.18 70.55 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.54 -55.93 22.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.74 -52.28 49.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.212 0.32 . . . . 0.0 110.394 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.16 -54.52 38.61 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.102 0.561 . . . . 0.0 111.545 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.05 -55.76 27.35 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.167 0.587 . . . . 0.0 110.742 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -57.83 -33.38 68.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.066 0.947 . . . . 0.0 112.103 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 m -85.55 23.14 1.42 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.386 1.074 . . . . 0.0 112.214 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -146.24 37.12 1.02 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.428 -1.56 0 C-N-CA 128.735 2.814 . . . . 0.0 106.623 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.459 HMA3 ' CD2' ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -52.42 151.49 4.07 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.951 1.3 . . . . 0.0 111.125 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.0 -70.78 2.02 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.66 -50.51 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.923 1.689 . . . . 0.0 113.056 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.53 86.75 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-O 120.622 0.249 . . . . 0.0 111.07 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -66.06 -50.4 64.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.266 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -42.83 -44.43 4.46 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -47.66 -34.52 8.2 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.201 1.401 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -69.54 -43.92 71.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.892 0.853 . . . . 0.0 110.543 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.29 -31.7 72.92 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 126.046 1.738 . . . . 0.0 110.953 -173.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -46.13 -37.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.638 0.775 . . . . 0.0 109.519 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.61 -38.28 7.26 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.428 1.013 . . . . 0.0 113.122 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 m -111.04 -31.75 7.02 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.313 1.056 . . . . 0.0 111.638 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.51 -4.07 32.08 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.87 165.37 31.2 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 121.182 -0.949 . . . . 0.0 112.822 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.35 -52.92 7.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.654 1.182 . . . . 0.0 111.853 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -108.49 43.88 1.19 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.226 1.011 . . . . 0.0 112.987 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.6 27.96 2.27 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.485 1.993 . . . . 0.0 114.731 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -83.77 -62.61 1.53 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.879 1.672 . . . . 0.0 113.8 -171.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -58.19 142.01 48.77 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 143.76 56.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.63 -128.55 0.08 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.517 0.727 . . . . 0.0 110.131 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 84.5 mmm -69.91 76.56 0.47 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.198 0.599 . . . . 0.0 110.639 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.51 -161.22 23.92 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.035 0.826 . . . . 0.0 112.02 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -62.07 70.88 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.739 2.015 . . . . 0.0 113.809 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.49 134.15 34.56 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.753 1.221 . . . . 0.0 109.031 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 134.31 96.01 Favored Pre-proline 0 C--N 1.343 0.283 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 172.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -58.21 140.04 92.76 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 N-CA-C 108.415 -1.417 . . . . 0.0 108.415 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.97 -37.27 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 118.954 -0.545 . . . . 0.0 109.711 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -35.82 95.96 0.01 OUTLIER 'General case' 0 C--N 1.343 0.323 0 C-N-CA 127.011 2.124 . . . . 0.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.86 49.56 1.98 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.502 1.525 . . . . 0.0 115.215 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.303 5.4 pt20 -58.57 -26.6 63.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.274 1.537 . . . . 0.0 110.534 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.09 134.1 1.83 Allowed Glycine 0 C--O 1.218 -0.874 0 C-N-CA 128.575 2.988 . . . . 0.0 108.232 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.09 73.11 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.955 2.877 . . . . 0.0 111.162 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.66 -53.43 47.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -62.45 1.39 Allowed 'General case' 0 C--N 1.339 0.133 0 C-N-CA 125.069 1.348 . . . . 0.0 108.467 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD23 HMA3 ' A' ' 80' ' ' HEC . 44.7 mt -48.19 -67.3 0.28 Allowed 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 126.743 2.017 . . . . 0.0 109.22 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -44.58 -50.87 9.47 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.906 0.776 . . . . 0.0 111.888 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -57.83 -48.21 80.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.202 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.51 -49.52 66.25 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.259 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.513 ' HE3' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -58.57 -42.04 87.08 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.777 1.626 . . . . 0.0 110.274 177.206 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.98 -43.72 94.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.756 0.707 . . . . 0.0 109.583 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.25 -53.43 23.79 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 125.319 1.438 . . . . 0.0 110.327 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -62.59 -55.0 31.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.571 0.748 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.1 70.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.552 0.341 . . . . 0.0 111.851 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.43 -40.5 85.49 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.88 12.6 25.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.63 1.11 . . . . 0.0 111.537 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.94 45.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -98.49 151.11 20.96 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.66 -155.7 26.51 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 109.089 -1.605 . . . . 0.0 109.089 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 121.55 3.66 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.144 0.878 . . . . 0.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 33.44 -91.44 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.166 2.587 . . . . 0.0 114.698 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -50.81 -33.77 24.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.735 1.214 . . . . 0.0 112.458 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -87.63 6.91 32.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.541 1.137 . . . . 0.0 112.065 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.78 11.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.767 1.167 . . . . 0.0 112.075 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.3 ttt -57.48 -45.49 84.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 tpt -51.31 -54.75 23.1 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.31 1.444 . . . . 0.0 109.469 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.9 m -54.73 -54.36 42.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.192 0.997 . . . . 0.0 109.652 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -44.63 76.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.23 -0.414 . . . . 0.0 110.786 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -59.5 5.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.839 0.29 . . . . 0.0 110.415 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.98 -31.59 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.137 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.31 -23.63 57.1 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.754 0.706 . . . . 0.0 111.614 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.96 -11.92 60.05 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.635 0.652 . . . . 0.0 112.149 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.59 177.49 6.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.936 1.294 . . . . 0.0 110.003 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -124.88 158.17 34.16 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.132 0.973 . . . . 0.0 109.694 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.01 -45.14 1.86 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.067 1.747 . . . . 0.0 113.983 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -57.88 -50.49 73.14 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 109.506 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.6 -47.62 81.65 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.203 1.001 . . . . 0.0 108.517 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.43 -52.85 63.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.99 0.916 . . . . 0.0 111.563 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -56.52 -46.37 80.63 Favored 'General case' 0 N--CA 1.457 -0.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.52 75.98 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.85 -50.15 58.19 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -52.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.36 -52.48 61.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.338 0.255 . . . . 0.0 110.981 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -53.1 -58.19 7.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.42 0.688 . . . . 0.0 110.24 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.7 mtm -63.7 -22.59 66.98 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -84.57 13.4 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.579 0.751 . . . . 0.0 111.772 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -147.21 48.91 1.12 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.253 1.268 0 CA-C-O 116.499 -1.715 . . . . 0.0 106.373 -171.417 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.513 HMA1 ' HE3' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 174.99 -160.7 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.853 1.661 . . . . 0.0 106.595 -172.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.05 -68.2 3.13 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.64 30.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.048 0.939 . . . . 0.0 111.342 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.41 71.53 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 122.895 0.478 . . . . 0.0 110.583 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.73 -51.09 71.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.333 0.653 . . . . 0.0 110.268 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -47.33 -44.67 23.89 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -47.23 -42.97 21.35 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.867 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -66.46 -12.7 58.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -95.82 -19.64 19.45 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.26 1.824 . . . . 0.0 111.308 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.95 152.52 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.88 -51.25 1.33 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.49 -50.06 7.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.13 -28.99 27.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.677 0.791 . . . . 0.0 112.29 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 -160.4 34.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.92 -52.38 42.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.223 1.009 . . . . 0.0 113.408 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.3 66.76 1.19 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -173.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.43 31.89 14.4 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.38 -48.44 14.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 127.398 2.279 . . . . 0.0 113.399 -170.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -79.45 141.13 37.06 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.337 0.589 . . . . 0.0 110.865 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 78.12 0.97 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.29 132.71 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 128.397 2.679 . . . . 0.0 114.095 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.19 -75.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.681 1.592 . . . . 0.0 109.581 -170.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.16 118.28 0.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m 66.5 76.64 0.3 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 122.206 1.003 . . . . 0.0 110.449 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.53 140.99 24.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.516 2.326 . . . . 0.0 105.105 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -64.76 114.99 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 117.764 -1.112 . . . . 0.0 108.517 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.2 122.33 10.45 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.234 1.956 . . . . 0.0 111.716 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.63 -40.38 3.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 C-N-CA 124.97 1.308 . . . . 0.0 114.307 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -28.16 88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.578 1.951 . . . . 0.0 112.857 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.03 3.23 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.444 1.497 . . . . 0.0 116.006 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -48.8 -55.64 11.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 123.257 1.503 . . . . 0.0 107.781 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.43 146.7 4.81 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 130.451 3.881 . . . . 0.0 106.453 172.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.64 -36.81 72.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.377 1.088 . . . . 0.0 112.112 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.71 -56.89 15.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -50.85 -56.62 11.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.167 1.387 . . . . 0.0 110.342 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 HMA3 ' A' ' 80' ' ' HEC . 39.1 mt -57.76 -49.85 75.2 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 126.458 1.903 . . . . 0.0 110.491 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -59.11 -47.95 83.39 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.036 0.835 . . . . 0.0 110.314 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.29 -55.61 31.63 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.762 0.425 . . . . 0.0 111.39 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.57 -46.28 89.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.625 0.77 . . . . 0.0 111.2 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -64.74 -39.62 93.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.109 0.413 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.18 -41.32 99.19 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -52.15 37.59 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 124.984 1.278 . . . . 0.0 110.153 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.31 -55.64 26.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.861 0.864 . . . . 0.0 109.689 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.04 60.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.905 -0.497 . . . . 0.0 112.264 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -88.41 19.36 3.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.945 0.898 . . . . 0.0 111.866 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.67 33.72 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.591 1.091 . . . . 0.0 113.395 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.4 m -102.4 -48.27 4.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.989 1.316 . . . . 0.0 109.099 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -93.27 136.75 33.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.37 -160.8 33.7 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 119.502 1.046 . . . . 0.0 111.221 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.39 179.07 31.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.159 1.383 . . . . 0.0 112.485 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -54.2 -35.64 62.6 Favored 'General case' 0 C--O 1.228 -0.051 0 C-N-CA 123.555 0.742 . . . . 0.0 112.037 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -68.18 -20.24 64.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.02 -45.74 32.32 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.639 1.109 . . . . 0.0 113.393 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 ttm -53.93 -60.14 3.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.364 0.666 . . . . 0.0 109.611 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.61 -51.06 61.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.215 1.406 . . . . 0.0 109.862 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -58.41 5.39 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.717 1.207 . . . . 0.0 109.481 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.28 84.44 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.623 -0.673 . . . . 0.0 111.356 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.29 70.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.333 0.515 . . . . 0.0 110.056 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.87 -27.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 119.295 -0.383 . . . . 0.0 111.481 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -52.64 -25.86 11.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.1 0.864 . . . . 0.0 111.942 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -67.35 -16.14 64.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.44 174.94 6.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.739 1.615 . . . . 0.0 112.26 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -144.57 174.12 11.23 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.997 2.119 . . . . 0.0 107.024 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -45.61 -48.38 14.66 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 116.617 2.081 . . . . 0.0 116.617 -168.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.35 -52.95 59.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.592 1.087 . . . . 0.0 109.021 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.74 -46.28 89.62 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.338 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.77 -55.6 32.17 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.407 0.549 . . . . 0.0 109.838 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -54.72 -48.75 72.12 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.582 0.753 . . . . 0.0 109.565 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.32 -31.58 72.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 118.398 -0.81 . . . . 0.0 112.481 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -49.28 74.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -57.0 14.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.264 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -50.42 -46.57 56.47 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.721 0.408 . . . . 0.0 111.744 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -60.66 -56.35 22.29 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -57.72 -26.32 61.61 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.54 0.736 . . . . 0.0 112.322 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -83.02 2.17 36.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.91 1.284 . . . . 0.0 112.901 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -137.09 45.52 2.23 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.429 -1.51 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -171.097 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.467 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 118.291 -0.861 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.04 158.32 11.28 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.706 0.628 . . . . 0.0 109.513 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.29 -63.11 3.66 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.05 79.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.824 0.85 . . . . 0.0 109.974 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.41 -50.09 42.05 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.336 0.654 . . . . 0.0 110.968 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 68' ' ' GLU . 8.5 mp -60.95 -53.48 56.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -47.02 -41.33 16.36 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.249 1.02 . . . . 0.0 113.592 -175.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -39.73 -39.58 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.867 0.729 . . . . 0.0 112.064 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -50.03 63.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.363 1.078 . . . . 0.0 110.836 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.28 -27.78 68.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 127.355 2.262 . . . . 0.0 111.025 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.7 mt -48.38 -37.33 7.6 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.87 -30.76 22.85 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 119.093 -0.837 . . . . 0.0 113.02 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -45.82 3.93 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.563 1.182 . . . . 0.0 110.827 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -87.97 -18.19 29.62 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.46 162.23 37.57 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 119.132 0.878 . . . . 0.0 111.941 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.13 -57.69 4.28 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.458 1.103 . . . . 0.0 112.152 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.64 41.52 1.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.957 0.503 . . . . 0.0 110.691 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.01 34.37 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.625 2.06 . . . . 0.0 115.422 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.5 -22.0 21.56 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.264 1.426 . . . . 0.0 114.406 -172.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.79 108.04 4.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.692 0.678 . . . . 0.0 112.158 -175.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.0 3.6 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB3' HBC1 ' A' ' 80' ' ' HEC . . . -77.43 -119.48 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 126.215 1.806 . . . . 0.0 113.484 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.522 ' H ' HBC1 ' A' ' 80' ' ' HEC . 64.0 mtt -46.66 127.87 9.98 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.101 0.864 . . . . 0.0 112.077 -175.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.12 33.73 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.944 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 58.78 51.65 7.39 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.681 1.24 . . . . 0.0 110.825 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.61 135.69 22.6 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.911 1.284 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -56.2 112.9 4.93 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 170.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.71 106.86 0.54 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.068 1.845 . . . . 0.0 112.543 -170.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 t -22.23 -53.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 129.509 3.124 . . . . 0.0 113.613 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -17.18 85.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.065 2.546 . . . . 0.0 112.811 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.86 50.06 39.35 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 117.52 -1.711 . . . . 0.0 115.619 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -51.7 55.32 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.572 2.186 . . . . 0.0 108.626 175.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.07 135.01 2.03 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 128.459 2.933 . . . . 0.0 108.374 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.66 -41.81 10.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.923 1.861 . . . . 0.0 111.438 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -57.05 -57.56 12.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.339 0.656 . . . . 0.0 110.37 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.75 -58.38 7.78 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.739 1.615 . . . . 0.0 108.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.3 mt -48.62 -64.46 0.8 Allowed 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 125.8 1.64 . . . . 0.0 109.752 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -47.31 -55.9 7.86 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 124.794 1.237 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -51.74 -49.59 62.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.03 -45.06 67.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.203 0.91 . . . . 0.0 111.906 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.571 ' HE3' ' HHB' ' A' ' 80' ' ' HEC 0.305 0.0 OUTLIER -62.12 -36.31 81.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 120.549 1.522 . . . . 0.0 110.293 177.962 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.26 -44.99 86.35 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.5 -58.92 2.41 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 127.085 2.279 . . . . 0.0 111.436 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -67.15 -51.2 56.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.203 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -34.29 67.07 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.957 -0.465 . . . . 0.0 111.731 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.71 -10.58 59.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.412 1.085 . . . . 0.0 111.317 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.56 21.28 74.49 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.519 -0.601 . . . . 0.0 112.112 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p -97.47 -53.31 3.49 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.17 133.61 41.41 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.4 -175.86 44.82 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.61 166.17 18.86 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.375 -2.29 . . . . 0.0 107.375 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -47.07 -60.43 2.47 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.468 1.134 . . . . 0.0 112.019 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.98 -27.48 52.97 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.2 0.6 . . . . 0.0 112.119 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -93.7 3.86 54.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.314 1.046 . . . . 0.0 111.862 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.75 26.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.628 1.558 . . . . 0.0 112.224 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -53.92 -53.33 54.14 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.096 0.958 . . . . 0.0 108.492 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 tpt -47.2 -55.99 7.52 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.666 1.987 . . . . 0.0 110.034 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -52.23 -56.37 15.14 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.486 0.715 . . . . 0.0 110.205 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -39.37 89.59 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.856 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.11 71.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.951 0.341 . . . . 0.0 110.247 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.85 -28.59 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -29.18 10.99 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 111.495 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.11 -25.38 67.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 140.6 31.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.083 1.353 . . . . 0.0 112.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -87.34 177.48 7.12 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.623 0.769 . . . . 0.0 109.966 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -55.71 -48.6 74.87 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -55.09 -50.74 68.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.421 1.088 . . . . 0.0 110.123 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 6' ' ' LEU . 5.0 mm-40 -58.26 -53.56 56.94 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 125.093 1.357 . . . . 0.0 109.843 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.28 -48.45 65.29 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.396 1.478 . . . . 0.0 110.852 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -55.16 -55.17 34.26 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.88 75.75 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -52.96 55.62 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.63 -51.24 63.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -53.94 -50.15 67.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.801 0.441 . . . . 0.0 110.575 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -58.66 -63.92 1.11 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.63 0.729 . . . . 0.0 110.614 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.5 mtm -54.25 -25.47 23.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.1 t -61.44 -11.33 10.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.377 -1.297 . . . . 0.0 113.362 176.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -132.92 57.42 1.8 Allowed 'General case' 0 C--N 1.341 0.22 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 32.7 tp . . . . . 0 N--CA 1.433 -1.32 0 C-N-CA 125.166 1.386 . . . . 0.0 107.278 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.571 ' HHB' ' HE3' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 118.147 -0.93 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.99 148.46 4.25 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 124.263 0.977 . . . . 0.0 110.719 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.63 -69.41 2.61 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.51 -50.46 62.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.889 1.276 . . . . 0.0 111.541 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.28 46.88 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.82 0.848 . . . . 0.0 112.385 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -88.24 -50.82 6.11 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.03 -41.96 17.57 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 112.518 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pptp? -47.68 -31.13 4.35 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -47.03 17.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.794 0.838 . . . . 0.0 109.908 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 m -57.59 -36.15 71.34 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.986 1.714 . . . . 0.0 109.619 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 mt -45.93 -35.07 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.679 1.191 . . . . 0.0 110.993 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.56 -38.83 4.25 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.329 0.966 . . . . 0.0 112.01 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -104.83 -46.26 4.35 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -63.21 -12.63 29.84 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 41.92 99.56 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 118.852 0.751 . . . . 0.0 113.095 171.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 65.22 -69.75 0.1 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.825 1.65 . . . . 0.0 112.41 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.6 -47.41 85.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.59 1.156 . . . . 0.0 111.962 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.43 -17.52 9.62 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.244 0.926 . . . . 0.0 111.835 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 m -79.25 43.06 0.51 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.721 1.26 . . . . 0.0 112.942 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 178.22 8.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.681 0.753 . . . . 0.0 112.809 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.68 85.55 2.34 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 169.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -148.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.505 0.722 . . . . 0.0 110.68 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ptm -72.94 64.1 0.68 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.5 -172.85 18.74 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.593 1.568 . . . . 0.0 109.991 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -72.8 63.92 0.65 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.418 1.487 . . . . 0.0 109.743 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 130.05 38.99 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.088 0.955 . . . . 0.0 109.748 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -63.06 141.45 97.71 Favored Pre-proline 0 CA--C 1.532 0.28 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.41 138.79 56.62 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.076 1.184 . . . . 0.0 109.928 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -79.7 -32.63 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.513 0.725 . . . . 0.0 111.732 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -42.3 98.95 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.902 1.281 . . . . 0.0 111.404 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.14 48.51 46.54 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 115.969 1.147 . . . . 0.0 115.969 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -53.64 -47.64 70.11 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 123.418 1.58 . . . . 0.0 107.799 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.71 149.27 5.0 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 129.08 3.228 . . . . 0.0 109.591 173.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.21 69.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.933 0.866 . . . . 0.0 111.408 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -59.72 -55.68 31.28 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.499 1.12 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -52.76 -59.41 4.53 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 126.113 1.765 . . . . 0.0 109.416 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD23 HMA3 ' A' ' 80' ' ' HEC . 21.5 mt -54.14 -58.34 7.71 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.233 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.72 -57.36 4.32 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 119.147 0.885 . . . . 0.0 110.465 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.37 -50.32 40.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.672 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -51.14 68.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 117.494 -1.241 . . . . 0.0 111.846 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.565 ' CE ' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -54.3 -43.61 71.24 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 121.472 1.942 . . . . 0.0 110.446 177.165 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -59.32 -49.19 78.77 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.39 -49.58 38.15 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.748 1.166 . . . . 0.0 111.481 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -64.2 -52.95 56.39 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.269 0.628 . . . . 0.0 109.352 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.48 62.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.399 0.68 . . . . 0.0 111.753 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -86.53 15.89 5.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.43 1.492 . . . . 0.0 111.419 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.23 35.36 14.29 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.941 1.258 . . . . 0.0 112.851 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -111.84 -59.85 1.93 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 109.809 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -78.25 72.62 4.79 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.09 -157.98 8.21 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.53 -153.58 24.83 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 108.419 -1.872 . . . . 0.0 108.419 -174.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.78 -79.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.906 0.883 . . . . 0.0 112.143 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -52.65 -37.03 57.87 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.235 1.016 . . . . 0.0 111.195 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -58.06 -25.05 60.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.213 1.805 . . . . 0.0 112.455 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.61 -53.02 12.36 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.635 1.107 . . . . 0.0 113.75 -176.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -50.44 73.0 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.83 -52.42 41.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.293 1.437 . . . . 0.0 109.649 177.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -51.92 -56.38 14.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.714 1.606 . . . . 0.0 108.586 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -45.42 89.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.774 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.58 61.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.973 0.352 . . . . 0.0 110.447 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 p -74.5 -28.5 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -49.89 -37.57 31.94 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.385 0.993 . . . . 0.0 111.195 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.59 -19.57 65.74 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.78 133.61 35.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.745 1.218 . . . . 0.0 110.666 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 t -84.74 167.27 16.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.162 0.585 . . . . 0.0 109.886 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.8 -42.84 12.68 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.073 0.949 . . . . 0.0 112.915 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -51.31 -55.96 15.6 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 122.809 1.29 . . . . 0.0 111.118 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.38 -44.77 93.79 Favored 'General case' 0 N--CA 1.424 -1.735 0 C-N-CA 126.696 1.998 . . . . 0.0 109.226 -177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.16 -52.18 61.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.167 0.587 . . . . 0.0 110.24 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -58.94 -47.8 83.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.76 84.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.63 -52.14 64.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.15 62.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.309 0.381 . . . . 0.0 110.669 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.51 -53.21 54.78 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.238 -0.288 . . . . 0.0 110.607 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -53.73 -55.97 21.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.542 0.737 . . . . 0.0 111.046 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtm -64.18 -20.7 66.19 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -89.44 8.95 28.25 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.966 0.907 . . . . 0.0 111.464 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 37.64 4.28 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.661 -1.978 . . . . 0.0 105.661 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 79' ' ' LEU . 6.5 mt . . . . . 0 N--CA 1.429 -1.521 0 C-N-CA 129.342 3.057 . . . . 0.0 103.533 -174.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.565 HMA1 ' CE ' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.16 152.58 13.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.897 0.879 . . . . 0.0 109.972 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.2 -67.87 2.97 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 108.794 -1.722 . . . . 0.0 108.794 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.71 76.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.085 1.354 . . . . 0.0 112.667 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.87 90.9 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.993 -0.442 . . . . 0.0 110.686 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.61 -43.31 97.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.644 1.178 . . . . 0.0 110.09 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -51.2 -21.91 2.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.54 1.136 . . . . 0.0 113.474 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -53.77 -40.12 65.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 120.519 -1.363 . . . . 0.0 109.982 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -87.82 36.51 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.333 0.653 . . . . 0.0 110.863 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -143.42 -33.31 0.44 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.419 1.888 . . . . 0.0 111.215 -173.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -45.73 156.75 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 125.655 1.582 . . . . 0.0 109.88 171.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.12 -57.38 4.99 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.23 -44.93 43.45 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.225 1.513 . . . . 0.0 107.141 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.632 ' CE1' HG21 ' A' ' 29' ' ' VAL . 98.5 m-70 -93.19 6.15 49.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.566 0.746 . . . . 0.0 111.266 175.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 -111.05 3.25 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 107.659 -2.177 . . . . 0.0 107.659 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.25 25.19 3.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 172.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -159.26 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.36 19.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.786 0.708 . . . . 0.0 112.525 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -80.2 -23.56 40.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.461 1.131 . . . . 0.0 110.487 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.68 143.75 35.09 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.627 0.771 . . . . 0.0 110.893 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.66 23.16 2.75 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.99 0.516 . . . . 0.0 110.611 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 25.13 -135.78 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.585 3.154 . . . . 0.0 114.549 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.9 mmt -75.41 66.66 1.86 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.36 86.41 1.82 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 115.543 0.977 . . . . 0.0 115.543 171.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 51.74 43.24 30.11 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.68 141.9 56.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -59.28 122.5 64.17 Favored Pre-proline 0 N--CA 1.441 -0.888 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 172.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.14 136.23 53.51 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 121.648 1.565 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 14' ' ' HIS . 40.2 t -90.07 -34.9 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.618 1.567 . . . . 0.0 111.484 -173.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -38.47 101.38 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.829 1.651 . . . . 0.0 109.719 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.52 47.08 45.54 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.618 1.407 . . . . 0.0 116.618 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -56.12 -54.17 48.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.481 1.61 . . . . 0.0 107.941 173.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.38 135.53 2.58 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 128.355 2.883 . . . . 0.0 109.865 174.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.12 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.019 1.727 . . . . 0.0 113.784 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -63.69 -52.78 59.09 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 123.748 0.819 . . . . 0.0 109.47 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -60.16 3.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 126.421 1.888 . . . . 0.0 108.0 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD23 HMA3 ' A' ' 80' ' ' HEC . 38.2 mt -52.88 -64.4 0.83 Allowed 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 127.331 2.252 . . . . 0.0 109.589 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -42.51 -52.97 4.53 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 124.694 1.198 . . . . 0.0 111.75 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -57.15 -47.79 80.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.137 0.273 . . . . 0.0 111.111 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -65.52 -52.5 52.13 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.595 -0.717 . . . . 0.0 112.517 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.28 80.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.013 1.279 . . . . 0.0 109.806 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.49 -43.22 99.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.5 63.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.302 0.953 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -58.9 -56.14 26.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.678 0.791 . . . . 0.0 109.371 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.27 75.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.73 0.412 . . . . 0.0 111.62 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.37 -38.02 89.51 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.652 0.781 . . . . 0.0 109.988 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.77 23.31 15.91 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.243 0.925 . . . . 0.0 111.23 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -95.36 -67.39 0.85 Allowed 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -74.12 73.12 1.72 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.21 -174.86 30.54 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.15 176.92 42.03 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -47.09 -53.17 13.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.161 0.984 . . . . 0.0 112.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -60.85 -24.35 65.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -89.11 -29.86 19.06 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.261 1.024 . . . . 0.0 110.771 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -20.78 -57.04 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.285 2.234 . . . . 0.0 116.173 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.1 mmt -56.02 -54.87 39.69 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 110.467 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.3 ttp -58.9 -47.92 83.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -48.99 -52.15 26.63 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.19 0.596 . . . . 0.0 110.082 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -41.26 89.05 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.95 -0.469 . . . . 0.0 110.611 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.8 -47.75 76.58 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.609 0.64 . . . . 0.0 110.31 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.77 -24.39 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.827 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -50.37 -36.54 32.87 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.839 1.199 . . . . 0.0 110.086 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -60.95 -28.9 69.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.276 1.03 . . . . 0.0 112.583 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 119.51 24.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.768 1.227 . . . . 0.0 111.408 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -83.04 -170.14 2.88 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.08 -53.23 53.42 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.9 -49.17 71.89 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.927 0.87 . . . . 0.0 110.336 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.25 -49.5 77.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.254 1.821 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.63 -50.32 70.49 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.212 0.605 . . . . 0.0 109.592 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.65 -41.52 95.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.189 0.196 . . . . 0.0 110.476 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.72 -45.0 80.1 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.34 -51.39 66.91 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.31 -47.58 81.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.526 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -51.27 -63.49 1.11 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 mtt -55.94 -33.67 64.94 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -65.85 -18.66 65.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.033 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -127.45 53.52 1.74 Allowed 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.257 43.1 tp . . . . . 0 N--CA 1.432 -1.351 0 CA-C-O 116.111 -1.899 . . . . 0.0 106.479 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.563 HMB1 ' CBB' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 116.75 -1.595 . . . . 0.0 107.814 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -144.07 140.43 29.49 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 120.141 1.337 . . . . 0.0 110.895 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -42.1 -36.82 2.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.967 2.222 . . . . 0.0 114.067 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.54 60.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.749 1.275 . . . . 0.0 112.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.87 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.75 -50.61 69.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.13 1.372 . . . . 0.0 111.109 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -45.8 -33.86 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.851 1.661 . . . . 0.0 114.517 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -50.4 -37.37 37.25 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.663 0.385 . . . . 0.0 110.854 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -62.71 -22.97 66.91 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.3 1.04 . . . . 0.0 113.438 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -90.2 -25.85 20.41 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.297 1.439 . . . . 0.0 111.211 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.34 142.72 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 -45.55 1.29 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -173.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -94.08 -31.07 14.35 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 117.95 0.875 . . . . 0.0 109.498 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 29' ' ' VAL . 54.0 m-70 -110.15 -41.31 4.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.75 174.56 19.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -174.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.06 96.69 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.755 0.777 . . . . 0.0 109.702 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.45 -71.04 0.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.68 61.85 0.03 OUTLIER Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -129.32 -22.57 3.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -169.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -71.36 158.56 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 0.0 111.447 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.68 77.61 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.826 0.85 . . . . 0.0 110.508 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.55 136.2 17.15 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.355 0.662 . . . . 0.0 110.271 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.497 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 38.7 mtp 46.6 33.31 1.97 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.934 1.294 . . . . 0.0 112.176 -174.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.23 -5.92 52.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.378 -1.234 . . . . 0.0 114.3 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -170.06 104.46 0.31 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.014 1.907 . . . . 0.0 109.341 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.44 144.15 15.37 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.42 139.61 94.85 Favored Pre-proline 0 C--O 1.234 0.247 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -64.31 141.7 76.18 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 N-CA-C 107.168 -1.897 . . . . 0.0 107.168 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 14' ' ' HIS . 9.6 t -86.2 -35.16 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 124.017 0.927 . . . . 0.0 108.613 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -33.34 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 127.671 2.388 . . . . 0.0 109.375 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.28 51.52 6.29 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 126.24 1.876 . . . . 0.0 116.639 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.0 -55.54 29.8 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 123.416 1.579 . . . . 0.0 108.145 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.09 144.27 4.0 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 128.376 2.893 . . . . 0.0 107.692 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.81 95.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 120.244 2.022 . . . . 0.0 112.982 -175.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.45 -52.17 62.57 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -48.86 -60.26 2.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.815 1.646 . . . . 0.0 108.162 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.71 -70.31 0.09 Allowed 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.651 1.58 . . . . 0.0 109.211 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -39.87 -55.86 1.9 Allowed 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 124.515 1.126 . . . . 0.0 112.143 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.6 -44.06 85.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -72.11 -43.62 64.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.83 96.49 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 121.531 1.969 . . . . 0.0 109.003 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -59.89 -43.67 94.65 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' C ' ' HB3' ' A' ' 49' ' ' TYR . . . -45.2 -61.32 3.62 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 128.268 2.842 . . . . 0.0 111.509 175.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.62 -52.5 63.11 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.385 1.474 . . . . 0.0 109.373 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.95 62.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.396 0.678 . . . . 0.0 111.16 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -73.53 -10.7 59.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.819 0.848 . . . . 0.0 111.967 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.14 28.48 73.6 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 123.777 0.703 . . . . 0.0 111.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 p -109.85 -49.99 3.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.099 0.96 . . . . 0.0 109.154 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' HB3' ' C ' ' A' ' 43' ' ' GLY . 42.1 t80 -74.37 66.33 1.32 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.337 0.655 . . . . 0.0 109.784 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.35 -165.69 32.45 Favored Glycine 0 CA--C 1.521 0.456 0 O-C-N 120.883 -1.136 . . . . 0.0 112.401 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.65 47.08 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 29.44 -110.46 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 113.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.16 -34.94 15.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.981 1.312 . . . . 0.0 113.813 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -63.89 -26.17 68.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.79 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.63 -48.61 2.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.32 -54.78 41.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 109.853 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -57.39 -48.45 79.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.684 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -45.81 -55.62 6.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.821 0.848 . . . . 0.0 109.403 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -39.4 92.33 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.186 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.76 77.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.649 0.659 . . . . 0.0 110.862 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.06 -22.84 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.205 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -46.5 -35.31 5.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.173 1.389 . . . . 0.0 111.128 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -52.49 -34.69 50.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.869 0.468 . . . . 0.0 111.551 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.0 128.96 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.191 1.396 . . . . 0.0 111.272 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 p -79.18 -79.2 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.262 1.025 . . . . 0.0 112.218 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.57 -61.91 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 125.286 1.435 . . . . 0.0 109.313 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -50.01 -47.68 52.93 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-O 122.54 1.162 . . . . 0.0 108.383 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -56.17 -55.91 27.4 Favored 'General case' 0 N--CA 1.422 -1.843 0 C-N-CA 125.667 1.587 . . . . 0.0 110.958 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 mt -53.79 -49.33 68.54 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.23 1.012 . . . . 0.0 110.635 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.56 -44.71 89.78 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.0 79.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.01 -48.22 82.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.26 -61.32 2.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.209 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -42.92 -50.11 5.83 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.126 0.97 . . . . 0.0 112.776 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -47.75 -56.82 6.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.557 0.343 . . . . 0.0 110.752 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.8 mtm -74.13 -21.95 59.66 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -64.17 -30.74 71.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.116 0.871 . . . . 0.0 112.919 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -112.02 53.41 0.73 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 1.9 tp . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 105.539 -2.023 . . . . 0.0 105.539 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.497 ' HHD' ' HG3' ' A' ' 23' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.818 -1.087 . . . . 0.0 108.448 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -91.71 19.22 6.62 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 -173.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -56.98 2.74 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.51 -42.38 32.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.737 1.215 . . . . 0.0 110.766 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.25 -48.0 46.1 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.706 0.803 . . . . 0.0 111.934 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.04 -48.02 47.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.215 1.406 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -45.36 -29.25 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.841 1.656 . . . . 0.0 114.66 -175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -44.33 -38.18 3.76 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.033 1.333 . . . . 0.0 112.24 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -65.61 -51.91 56.04 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 123.375 1.559 . . . . 0.0 110.807 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.21 -34.24 63.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 131.225 3.81 . . . . 0.0 111.306 -174.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -43.66 -40.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.683 175.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.8 -38.11 3.08 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.695 1.141 . . . . 0.0 113.578 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.4 m -114.35 -36.68 4.57 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.339 1.069 . . . . 0.0 111.975 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.16 -10.74 40.69 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.69 177.29 51.11 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.423 -0.798 . . . . 0.0 112.789 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.87 -55.88 7.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.916 1.287 . . . . 0.0 112.974 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -82.79 -80.97 0.16 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.02 36.24 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.807 2.146 . . . . 0.0 109.3 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -28.15 12.09 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.388 1.875 . . . . 0.0 115.9 -167.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -74.76 144.73 43.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.353 1.433 . . . . 0.0 111.108 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 108.6 4.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -178.35 0.97 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.994 0.517 . . . . 0.0 110.625 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mmt -37.92 129.25 1.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 113.458 -177.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.11 38.0 72.95 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.119 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 52.85 50.87 17.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.15 0.98 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.65 152.74 41.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -63.22 135.8 96.4 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.87 149.19 59.43 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 121.293 1.329 . . . . 0.0 108.73 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.29 -35.72 8.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.122 0.569 . . . . 0.0 111.041 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -47.29 105.4 0.07 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.49 1.116 . . . . 0.0 110.496 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.47 25.6 62.95 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 117.07 -1.961 . . . . 0.0 116.652 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -59.67 -50.68 72.92 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 121.981 2.891 . . . . 0.0 107.796 172.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.43 153.39 5.86 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 128.625 3.012 . . . . 0.0 109.977 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.4 80.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.576 0.751 . . . . 0.0 112.615 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -64.26 -53.15 53.55 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 123.717 0.807 . . . . 0.0 109.1 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -49.63 -60.73 2.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.999 1.72 . . . . 0.0 108.135 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD23 HMA3 ' A' ' 80' ' ' HEC . 41.1 mt -54.52 -61.43 2.31 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.552 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.8 -52.14 6.87 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 120.025 1.284 . . . . 0.0 111.725 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -56.72 -50.85 70.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.491 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -60.94 -49.13 78.7 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.188 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -46.16 74.51 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 121.405 1.911 . . . . 0.0 109.669 176.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -60.68 -47.92 84.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.076 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.49 -47.96 56.03 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.572 1.082 . . . . 0.0 111.579 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -62.51 -52.26 64.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.18 64.63 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.903 0.774 . . . . 0.0 112.09 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -70.36 -12.46 61.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.034 1.334 . . . . 0.0 111.76 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.76 21.67 76.59 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 p -93.09 -61.91 1.48 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -79.05 65.82 4.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.19 -151.3 6.96 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.886 1.232 . . . . 0.0 111.371 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.92 107.39 0.58 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.316 0.96 . . . . 0.0 111.056 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.84 -101.18 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.495 1.918 . . . . 0.0 112.823 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -47.94 -37.9 15.43 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.691 1.197 . . . . 0.0 112.113 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -55.03 -22.35 15.35 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.86 1.264 . . . . 0.0 112.294 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.73 -39.84 38.61 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.633 0.651 . . . . 0.0 111.473 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.18 -46.39 87.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 109.609 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 ttm -59.07 -51.15 71.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.215 1.006 . . . . 0.0 108.753 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 m -46.78 -55.46 7.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.366 1.466 . . . . 0.0 109.068 175.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -46.89 81.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.826 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.65 3.44 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.018 0.372 . . . . 0.0 110.823 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.25 -34.98 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 111.689 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.23 -25.92 64.43 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.017 0.826 . . . . 0.0 111.492 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.15 -11.18 60.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.452 0.569 . . . . 0.0 111.867 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.29 141.44 30.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.008 1.323 . . . . 0.0 109.026 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -83.59 166.16 18.42 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 110.185 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.84 -40.67 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.177 -0.952 . . . . 0.0 111.822 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.44 -55.46 25.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.967 0.889 . . . . 0.0 109.549 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -59.57 -47.03 87.14 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.74 -49.27 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.855 0.752 . . . . 0.0 110.451 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -59.78 -42.24 92.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.55 92.55 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.54 -48.55 81.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.811 1.244 . . . . 0.0 107.877 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.88 63.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.902 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -51.34 -52.91 41.31 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.509 0.724 . . . . 0.0 110.709 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -47.02 -68.22 0.21 Allowed 'General case' 0 C--N 1.338 0.087 0 C-N-CA 124.401 1.08 . . . . 0.0 109.745 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.95 -25.27 63.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.844 0.857 . . . . 0.0 113.267 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -83.48 -4.05 58.16 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.566 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -135.54 50.36 2.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -171.407 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.507 HMB1 ' CBB' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -73.12 41.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.788 1.635 . . . . 0.0 115.376 -173.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.96 -61.56 3.72 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 119.482 1.037 . . . . 0.0 112.618 176.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -50.76 4.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.171 2.189 . . . . 0.0 112.275 -177.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.09 -35.58 26.01 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.703 1.201 . . . . 0.0 112.328 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.91 -49.41 7.1 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -46.76 -39.97 12.67 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.351 1.06 . . . . 0.0 113.164 -176.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -45.6 -31.63 1.96 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -50.42 16.32 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.87 0.843 . . . . 0.0 109.866 177.713 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.94 -33.84 67.41 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.024 2.13 . . . . 0.0 110.187 -176.571 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.1 mt -46.87 -34.78 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.479 0.712 . . . . 0.0 110.592 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.75 -37.6 9.24 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.756 -0.469 . . . . 0.0 112.314 177.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.66 -22.39 11.63 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.518 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -104.1 -19.09 14.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.99 159.76 13.2 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.28 -46.2 35.62 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.913 -0.757 . . . . 0.0 112.72 -177.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -83.67 -6.5 59.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.99 0.916 . . . . 0.0 113.185 -177.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.13 16.24 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 120.655 -1.278 . . . . 0.0 111.674 -175.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -81.64 -32.64 31.79 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.287 1.835 . . . . 0.0 113.059 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -58.31 114.05 2.24 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 123.514 0.726 . . . . 0.0 112.127 -174.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.92 80.67 1.66 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.923 0.889 . . . . 0.0 108.805 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.84 171.55 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.662 1.985 . . . . 0.0 114.387 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.9 mtp -17.74 99.18 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.777 2.431 . . . . 0.0 115.263 -176.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.47 56.07 2.9 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 177.166 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 45.12 47.68 9.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.025 1.33 . . . . 0.0 112.73 176.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 140.64 42.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.061 0.544 . . . . 0.0 111.652 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 119.73 25.36 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.001 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -53.84 142.37 63.37 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.397 1.398 . . . . 0.0 111.955 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.0 t -77.81 -36.18 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.135 0.974 . . . . 0.0 110.261 -176.683 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -23.42 90.91 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 0.0 110.588 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 34.44 58.08 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.171 1.843 . . . . 0.0 115.665 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -48.74 -51.7 27.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 123.096 1.427 . . . . 0.0 108.582 175.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.59 130.46 1.12 Allowed Glycine 0 C--O 1.22 -0.777 0 C-N-CA 127.259 2.361 . . . . 0.0 109.126 172.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.3 -43.47 4.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.574 2.187 . . . . 0.0 113.132 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.87 -48.98 69.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.216 0.462 . . . . 0.0 110.421 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.12 -56.19 22.61 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 125.074 1.349 . . . . 0.0 108.647 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.86 -60.22 3.3 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 126.317 1.847 . . . . 0.0 109.049 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -46.66 -54.83 8.78 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.164 0.893 . . . . 0.0 111.782 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -54.77 -46.76 74.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.023 0.202 . . . . 0.0 111.167 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -61.59 -56.29 21.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.161 179.203 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -43.85 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 121.213 1.824 . . . . 0.0 111.3 177.483 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -58.71 -46.71 86.7 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.96 -48.54 81.79 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.785 1.183 . . . . 0.0 111.645 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -58.39 -57.6 12.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.596 1.159 . . . . 0.0 108.225 177.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.91 69.68 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.194 0.598 . . . . 0.0 111.33 -179.126 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.71 -33.89 76.02 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.385 0.674 . . . . 0.0 110.913 178.325 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.82 19.75 30.67 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.206 0.907 . . . . 0.0 111.515 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -57.24 2.81 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -78.8 63.22 3.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.63 131.41 2.35 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.377 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.56 148.74 20.66 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 107.315 -2.314 . . . . 0.0 107.315 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 37.0 -103.78 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.232 2.213 . . . . 0.0 113.032 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -47.96 -36.55 12.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.684 1.194 . . . . 0.0 112.681 -177.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -66.4 -12.98 59.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.64 -40.5 53.33 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.188 0.595 . . . . 0.0 111.297 177.758 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.8 mtt -54.91 -57.34 12.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.28 0.632 . . . . 0.0 110.224 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' HG22 ' A' ' 61' ' ' VAL . 46.8 mtm -61.76 -45.85 92.11 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.513 0.725 . . . . 0.0 110.244 178.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.0 m -46.46 -48.01 19.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.528 0.731 . . . . 0.0 109.495 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -46.2 56.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.787 176.581 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -63.95 1.01 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.555 0.616 . . . . 0.0 112.544 -176.358 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 57' ' ' MET . 4.3 m -62.51 -26.21 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.622 -0.674 . . . . 0.0 111.729 -178.013 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -62.05 -21.98 65.37 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.924 0.784 . . . . 0.0 110.837 176.582 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.07 -20.44 60.96 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.841 0.746 . . . . 0.0 111.017 176.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.17 178.11 5.84 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.853 1.261 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.2 p -125.65 167.49 15.03 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.757 0.823 . . . . 0.0 110.127 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -44.2 -46.89 9.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.008 0.923 . . . . 0.0 113.355 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.58 -54.03 25.82 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-O 121.659 0.742 . . . . 0.0 109.996 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.05 -55.91 28.64 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.158 1.383 . . . . 0.0 109.393 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -51.52 -51.73 52.85 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.354 0.409 . . . . 0.0 110.957 -178.677 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -57.2 -48.44 78.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.31 72.4 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -50.86 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.22 69.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.203 174.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.37 -53.64 54.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.493 0.317 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -54.37 -55.13 31.66 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 110.65 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 mtm -61.95 -25.75 67.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -83.09 6.94 17.34 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.719 175.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -143.3 50.0 1.41 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.399 -2.075 . . . . 0.0 105.399 179.201 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -172.695 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.667 HBB2 ' HHC' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 4.99 68.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 130.023 3.329 . . . . 0.0 116.572 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.44 -48.92 1.24 Allowed Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.735 -0.603 . . . . 0.0 114.59 176.553 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.34 -46.8 55.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.509 1.124 . . . . 0.0 112.977 -176.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.61 73.98 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.54 -42.29 70.74 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.581 1.552 . . . . 0.0 109.865 -178.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -48.43 -29.15 3.77 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.206 1.002 . . . . 0.0 113.268 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -54.21 -37.31 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.34 -0.85 . . . . 0.0 110.58 177.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -91.92 37.35 0.97 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.6 0.76 . . . . 0.0 110.839 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.24 -32.91 0.7 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.34 1.456 . . . . 0.0 112.274 -174.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.4 153.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.683 1.593 . . . . 0.0 109.36 174.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.14 -54.91 4.93 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-O 118.564 -1.131 . . . . 0.0 110.298 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.2 -40.51 44.89 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.697 1.749 . . . . 0.0 107.815 178.526 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.553 ' CE1' HG21 ' A' ' 29' ' ' VAL . 96.6 m-70 -104.11 11.74 34.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.044 0.938 . . . . 0.0 111.641 177.218 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.56 -102.53 1.51 Allowed Glycine 0 C--N 1.335 0.491 0 N-CA-C 107.29 -2.324 . . . . 0.0 107.29 174.728 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.48 30.27 1.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -161.16 -103.17 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -173.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.66 31.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.814 1.197 . . . . 0.0 111.66 177.828 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 m -90.68 -44.66 9.35 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 117.728 0.764 . . . . 0.0 111.343 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 150.45 48.54 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.576 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 130.63 39.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.54 -122.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.746 0.818 . . . . 0.0 110.143 -178.154 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.5 mtt -69.35 75.75 0.37 Allowed 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.642 -0.661 . . . . 0.0 109.796 177.201 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 -173.8 55.08 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -40.92 101.92 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.725 2.01 . . . . 0.0 112.91 -178.724 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.15 133.66 37.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.742 1.217 . . . . 0.0 107.724 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -58.17 123.39 64.96 Favored Pre-proline 0 N--CA 1.432 -1.33 0 C-N-CA 125.348 1.459 . . . . 0.0 109.075 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.56 134.82 47.26 Favored 'Trans proline' 0 N--CA 1.45 -1.029 0 C-N-CA 121.945 1.763 . . . . 0.0 109.875 175.806 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 14' ' ' HIS . 33.6 t -85.26 -36.8 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.871 1.268 . . . . 0.0 110.217 -175.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -43.96 101.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.792 1.237 . . . . 0.0 110.131 -179.326 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.65 40.55 99.3 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 117.19 1.636 . . . . 0.0 117.19 176.445 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -57.94 -58.62 7.61 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.272 2.036 . . . . 0.0 108.27 172.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.12 137.75 2.26 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.492 2.472 . . . . 0.0 108.592 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.12 64.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.708 1.754 . . . . 0.0 112.561 -176.056 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.59 -54.87 40.16 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.495 0.589 . . . . 0.0 110.128 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -48.21 -57.97 5.17 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.487 1.515 . . . . 0.0 108.411 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD23 HMA3 ' A' ' 80' ' ' HEC . 31.3 mt -52.26 -68.09 0.2 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 113.646 -1.615 . . . . 0.0 109.129 179.224 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -38.18 -61.72 0.64 Allowed 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.977 1.711 . . . . 0.0 111.81 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -53.7 -42.1 67.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.949 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -75.9 -44.15 41.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.445 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -37.65 85.15 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.034 1.743 . . . . 0.0 109.36 174.741 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -63.18 -46.96 84.64 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.345 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.21 -50.04 41.59 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.037 1.303 . . . . 0.0 110.695 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -62.36 -57.97 9.39 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.453 0.701 . . . . 0.0 109.483 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.83 66.91 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.636 -0.665 . . . . 0.0 112.51 -179.191 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.95 -22.64 63.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.448 1.099 . . . . 0.0 111.346 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.22 20.08 63.39 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.603 0.621 . . . . 0.0 111.657 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -90.79 -52.09 5.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.163 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.25 147.91 27.71 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.43 -172.63 40.25 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.463 1.029 . . . . 0.0 111.657 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.04 162.34 22.15 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.485 -2.646 . . . . 0.0 106.485 -179.014 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.72 -54.29 19.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.953 1.377 . . . . 0.0 112.429 -176.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -59.7 -23.56 63.23 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.055 0.542 . . . . 0.0 112.311 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.83 1.9 54.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 111.268 -176.644 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.6 -51.4 70.06 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.608 1.095 . . . . 0.0 111.785 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.8 ttm -57.19 -50.33 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 ttp -54.49 -50.35 68.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.339 0.655 . . . . 0.0 109.915 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -50.83 -52.93 36.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.885 0.874 . . . . 0.0 108.814 178.753 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -43.52 95.11 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.603 178.534 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -51.3 67.73 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.588 0.631 . . . . 0.0 110.416 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.13 -23.45 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.035 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -54.68 -33.86 61.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.576 1.08 . . . . 0.0 109.981 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -64.91 -22.49 67.0 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 123.907 0.883 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 131.11 34.84 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.913 1.285 . . . . 0.0 112.566 -174.35 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -76.72 174.25 10.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -55.45 -46.59 76.77 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.14 -0.975 . . . . 0.0 110.965 179.13 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 1.9 mp0 -52.31 -53.19 47.37 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.209 1.403 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.056 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.72 -45.95 85.06 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.491 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -59.73 -45.11 93.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.58 78.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.197 -0.315 . . . . 0.0 111.839 178.061 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.59 -52.83 61.83 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.51 62.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.639 176.486 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.82 -50.64 63.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.724 0.41 . . . . 0.0 110.648 178.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -53.73 -58.45 7.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.156 0.982 . . . . 0.0 110.235 178.662 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.1 mmt -56.15 -34.8 66.48 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.018 0.927 . . . . 0.0 111.29 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -82.05 9.54 8.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 117.766 -1.111 . . . . 0.0 113.349 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.77 38.89 1.49 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 178.121 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.431 -1.423 0 C-N-CA 125.979 1.712 . . . . 0.0 108.152 -174.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.587 HMB1 HBB3 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -59.64 155.75 14.98 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.838 0.711 . . . . 0.0 109.589 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.67 -61.91 3.22 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -176.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.64 44.45 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.569 0.748 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.87 84.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.597 0.359 . . . . 0.0 111.106 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.08 -44.61 95.28 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 125.547 1.539 . . . . 0.0 110.788 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.14 -40.95 67.88 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -31.22 -56.64 0.24 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.115 1.366 . . . . 0.0 113.414 -177.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -61.41 -40.39 94.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.24 -28.1 67.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.743 1.617 . . . . 0.0 110.953 -175.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.0 -35.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 C-N-CA 123.862 0.865 . . . . 0.0 109.329 175.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.56 -41.47 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.651 178.099 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.3 m -106.62 -33.18 7.73 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.073 0.937 . . . . 0.0 111.745 -178.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -95.42 -26.57 15.81 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.021 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.55 170.05 46.04 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -177.156 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -65.28 0.58 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 -177.76 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.68 34.3 0.49 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.074 0.55 . . . . 0.0 110.711 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.35 36.67 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.439 1.971 . . . . 0.0 113.893 -178.07 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -98.72 -25.07 14.8 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -168.073 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -79.8 37.67 0.36 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.996 1.725 . . . . 0.0 112.916 -172.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.74 -113.91 0.82 Allowed 'General case' 0 C--N 1.342 0.239 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.25 168.8 2.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.057 2.943 . . . . 0.0 106.603 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -42.9 108.89 0.11 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.061 1.345 . . . . 0.0 111.965 -177.183 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.86 -97.42 1.14 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 -178.232 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -159.22 137.91 10.89 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB1' HBD1 ' A' ' 80' ' ' HEC . . . -165.54 152.65 10.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.835 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -58.61 118.49 28.87 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 172.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.39 144.56 95.18 Favored 'Trans proline' 0 N--CA 1.444 -1.44 0 N-CA-C 107.519 -1.762 . . . . 0.0 107.519 179.255 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 t -66.84 -37.05 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -27.12 98.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.961 2.504 . . . . 0.0 111.285 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 36.91 37.96 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.977 2.227 . . . . 0.0 114.849 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.319 3.7 pt20 -61.74 -34.24 75.47 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.585 1.693 . . . . 0.0 111.289 -177.101 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.15 123.4 1.26 Allowed Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.227 1.87 . . . . 0.0 112.127 170.081 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.7 -42.97 26.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.358 2.079 . . . . 0.0 112.324 178.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.53 -55.4 35.08 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.326 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -45.48 -61.01 1.86 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.919 2.088 . . . . 0.0 108.871 177.672 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.75 -62.62 1.54 Allowed 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 128.109 2.564 . . . . 0.0 109.171 -178.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -43.56 -59.06 2.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.439 1.096 . . . . 0.0 111.376 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -50.69 -49.05 58.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.028 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -68.18 -46.48 70.58 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.344 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -35.36 79.29 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 120.866 1.666 . . . . 0.0 110.023 175.218 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -61.49 -47.29 86.31 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.86 -53.07 31.54 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.86 1.219 . . . . 0.0 110.99 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -64.58 -49.16 72.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.704 0.802 . . . . 0.0 110.872 -179.159 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.42 90.85 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.644 -0.66 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.62 -37.96 80.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.102 0.561 . . . . 0.0 110.351 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 11.65 34.97 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.608 1.099 . . . . 0.0 111.327 -178.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.88 60.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.07 144.97 27.0 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.69 -172.45 41.17 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.17 163.05 12.98 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 -179.117 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -46.95 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.868 0.834 . . . . 0.0 112.082 -178.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -70.24 -26.98 64.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.047 0.539 . . . . 0.0 111.744 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -80.38 -25.56 39.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.581 0.752 . . . . 0.0 110.658 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -33.58 -53.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.643 1.577 . . . . 0.0 115.211 -176.209 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 94.3 mtp -54.2 -59.29 4.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.67 0.747 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.7 ttp -55.99 -44.59 78.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.352 1.061 . . . . 0.0 109.974 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 m -55.65 -52.41 63.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -40.33 93.44 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 119.2 -0.429 . . . . 0.0 109.993 178.238 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -56.78 17.44 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.442 0.565 . . . . 0.0 109.815 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.89 -25.95 38.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.826 -0.547 . . . . 0.0 111.447 179.189 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.29 -27.22 61.95 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.306 0.957 . . . . 0.0 110.261 176.361 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -73.33 -17.34 61.31 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.196 0.453 . . . . 0.0 111.98 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.16 -161.08 0.5 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.395 1.478 . . . . 0.0 110.419 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -146.49 -77.41 0.18 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -153.75 -51.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.519 0.328 . . . . 0.0 111.753 -176.066 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.38 -49.74 66.57 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.603 1.192 . . . . 0.0 107.986 177.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -50.83 -57.39 8.54 Favored 'General case' 0 N--CA 1.424 -1.752 0 C-N-CA 128.143 2.577 . . . . 0.0 109.728 177.02 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.27 -50.08 72.39 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.575 1.15 . . . . 0.0 111.198 -178.028 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.7 -48.24 81.79 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.92 78.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.505 HD21 HMB1 ' A' ' 80' ' ' HEC . 10.9 tp -70.37 -48.74 54.87 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.432 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.48 -52.84 52.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.999 0.52 . . . . 0.0 111.173 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -56.61 -54.99 39.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.31 -0.243 . . . . 0.0 110.68 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -53.24 -51.26 62.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.331 0.586 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.3 mtp -60.76 -29.98 69.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.413 1.085 . . . . 0.0 111.784 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -76.24 2.79 12.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.339 175.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -130.18 38.63 3.76 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 -175.322 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.505 HMB1 HD21 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 118.021 -0.99 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.85 148.48 4.09 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 124.179 0.992 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.88 -62.15 2.48 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.75 -51.5 69.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.946 0.898 . . . . 0.0 111.287 -178.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.61 61.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.559 0.743 . . . . 0.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 6' ' ' LEU . 4.8 mp -79.1 -59.25 2.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.184 0.994 . . . . 0.0 108.499 178.481 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -43.41 -45.93 6.44 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.933 1.693 . . . . 0.0 113.161 -176.367 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -31.96 2.55 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.98 -45.03 28.82 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.052 0.929 . . . . 0.0 110.632 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -58.41 -31.9 68.14 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.72 2.008 . . . . 0.0 110.183 -175.279 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.9 mt -44.02 -36.08 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.62 1.168 . . . . 0.0 110.928 174.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.57 -42.76 14.48 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 118.245 0.475 . . . . 0.0 112.111 178.492 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.7 m -99.11 -34.71 10.28 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 117.282 0.541 . . . . 0.0 110.999 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.435 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 72.8 m-70 -81.9 -33.13 30.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -172.493 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.35 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.014 0 CA-C-N 119.48 1.036 . . . . 0.0 113.427 175.294 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.47 -110.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.239 1.815 . . . . 0.0 111.82 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.58 -12.31 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.362 1.065 . . . . 0.0 111.876 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 101.83 41.04 2.56 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.165 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -87.93 -32.63 18.81 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 126.552 1.941 . . . . 0.0 114.8 -172.056 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -76.75 139.35 40.4 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.582 -175.233 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 102.29 3.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -175.49 0.12 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.649 0.78 . . . . 0.0 112.058 -178.661 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt -30.91 119.66 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.355 1.862 . . . . 0.0 113.625 -176.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 39.58 63.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.182 0.896 . . . . 0.0 112.644 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m 52.26 52.8 13.54 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.122 0.969 . . . . 0.0 111.094 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.5 149.87 49.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.005 0.922 . . . . 0.0 112.447 -177.427 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -54.35 118.58 16.72 Favored Pre-proline 0 N--CA 1.447 -0.583 0 C-N-CA 124.593 1.157 . . . . 0.0 108.605 173.663 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.72 148.8 72.31 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 CA-C-N 120.065 1.059 . . . . 0.0 110.547 177.109 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -76.49 -41.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.144 -177.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -19.98 85.84 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 0 C-N-CA 127.387 2.275 . . . . 0.0 113.328 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.78 54.87 4.14 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.758 1.647 . . . . 0.0 115.795 179.713 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -49.03 -52.88 22.75 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.008 1.385 . . . . 0.0 109.174 174.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 137.24 2.23 Favored Glycine 0 C--O 1.222 -0.655 0 CA-C-N 112.389 -2.187 . . . . 0.0 109.484 174.309 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.76 14.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.091 1.946 . . . . 0.0 112.314 -178.708 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -57.52 -56.26 24.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.714 0.805 . . . . 0.0 109.61 178.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.92 -59.05 5.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.111 1.364 . . . . 0.0 109.387 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -53.62 -49.16 68.44 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.879 1.271 . . . . 0.0 110.866 -177.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -56.73 -60.46 3.52 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.183 0.593 . . . . 0.0 110.484 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -54.82 -47.82 73.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.109 -176.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.06 -41.6 77.37 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.638 -0.664 . . . . 0.0 111.035 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.441 ' SD ' HD13 ' A' ' 69' ' ' LEU 0.262 3.6 ppp? -68.08 -39.16 82.96 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.031 0.832 . . . . 0.0 110.361 179.34 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.03 -45.55 86.77 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.65 -61.01 3.08 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.905 2.193 . . . . 0.0 111.374 174.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -61.97 -52.8 62.55 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 109.659 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.96 65.49 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.609 0.764 . . . . 0.0 111.891 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -86.52 11.17 13.25 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.077 0.551 . . . . 0.0 111.168 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.33 33.43 11.33 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.436 1.017 . . . . 0.0 112.008 -178.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -108.53 -54.97 2.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.789 0.836 . . . . 0.0 108.757 -176.537 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.5 95.72 8.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 175.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.37 -176.97 45.88 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 118.592 -1.766 . . . . 0.0 113.507 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.94 171.62 44.66 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 107.189 -2.364 . . . . 0.0 107.189 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -41.99 -57.69 2.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.888 1.275 . . . . 0.0 112.36 -177.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.91 -27.41 12.9 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.994 1.318 . . . . 0.0 113.975 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -87.42 -27.11 22.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.254 1.022 . . . . 0.0 111.285 -177.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -26.9 -55.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.999 2.12 . . . . 0.0 116.22 -173.624 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -53.14 -55.26 25.51 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 109.808 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 ttp -61.26 -49.79 75.65 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.79 178.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -45.91 -55.59 6.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.9 97.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.532 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.73 -59.6 4.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.6 0.636 . . . . 0.0 110.71 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.7 -29.71 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.861 -0.524 . . . . 0.0 111.63 -179.227 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -56.4 -25.17 49.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.098 0.863 . . . . 0.0 111.09 176.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -75.7 -18.72 59.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.825 0.738 . . . . 0.0 112.386 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 144.78 29.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.432 1.093 . . . . 0.0 110.382 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 p -84.32 171.93 12.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.637 1.175 . . . . 0.0 110.091 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.33 -41.87 76.76 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.434 -0.791 . . . . 0.0 111.402 178.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -55.73 -52.25 64.54 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 121.592 0.711 . . . . 0.0 109.607 178.319 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.54 -41.51 90.23 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.164 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD13 ' SD ' ' A' ' 41' ' ' MET . 0.8 OUTLIER -59.0 -53.95 52.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.6 0.636 . . . . 0.0 109.985 -179.508 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -54.9 -45.58 74.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.616 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.78 85.24 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.58 -0.724 . . . . 0.0 112.362 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -51.29 67.7 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.7 50.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.063 178.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -53.7 -55.34 27.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -53.09 -58.42 7.07 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.515 0.726 . . . . 0.0 110.859 -179.077 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtm -55.92 -36.59 67.88 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 123.65 0.78 . . . . 0.0 111.129 -179.185 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -63.77 -7.31 7.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.955 179.036 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -100.74 -4.93 27.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.675 1.125 . . . . 0.0 111.493 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.426 -1.65 0 C-N-CA 124.787 1.235 . . . . 0.0 111.519 -177.094 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.401 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 116.653 -1.641 . . . . 0.0 107.236 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.9 t0 60.71 106.4 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.869 1.668 . . . . 0.0 115.09 176.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' A' ' 71' ' ' ALA . . . -33.63 -39.11 0.1 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 127.539 2.495 . . . . 0.0 114.56 170.102 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.74 60.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.832 1.316 . . . . 0.0 111.188 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.96 86.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.937 0.895 . . . . 0.0 111.167 178.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.32 -50.36 60.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.69 -45.08 19.2 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.744 0.818 . . . . 0.0 112.787 -176.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -43.91 -36.62 2.48 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.374 1.07 . . . . 0.0 113.266 179.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -78.98 -46.04 19.06 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.922 0.867 . . . . 0.0 110.021 176.089 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.38 -32.92 27.71 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.914 2.886 . . . . 0.0 111.261 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -44.06 -38.0 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.522 1.129 . . . . 0.0 110.103 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.3 -34.61 4.7 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.354 178.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' HB1' ' A' ' 22' ' ' ALA . 6.3 t -116.07 -30.59 5.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.081 0.94 . . . . 0.0 111.941 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -94.21 -12.14 28.86 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -175.458 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.96 -167.87 50.82 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 177.141 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.81 -85.43 0.06 Allowed 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 122.266 -0.549 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -81.41 52.43 1.85 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 126.086 1.754 . . . . 0.0 111.359 -176.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.55 4.49 0.01 OUTLIER Glycine 0 CA--C 1.54 1.617 0 C-N-CA 129.309 3.338 . . . . 0.0 119.375 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.7 m -84.66 49.47 1.71 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 126.698 1.999 . . . . 0.0 110.758 -175.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 2.2 pttp -80.15 169.34 17.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -175.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 84.22 2.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 101.877 -3.379 . . . . 0.0 101.877 169.292 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.606 ' HB1' ' SG ' ' A' ' 13' ' ' CYS . . . -65.58 -175.13 0.24 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.023 1.329 . . . . 0.0 111.529 -175.846 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.534 ' HB2' HBC1 ' A' ' 80' ' ' HEC . 58.0 mtt -64.63 87.06 0.05 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.14 0.882 . . . . 0.0 109.571 176.12 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.17 144.77 16.53 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.523 2.011 . . . . 0.0 108.364 -174.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 t -50.66 139.53 16.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.762 0.781 . . . . 0.0 110.933 -179.308 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB1' HAD2 ' A' ' 80' ' ' HEC . . . -161.31 158.58 27.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.365 0.666 . . . . 0.0 109.906 -176.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -59.1 117.8 24.62 Favored Pre-proline 0 N--CA 1.438 -1.03 0 C-N-CA 125.615 1.566 . . . . 0.0 109.42 177.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.57 146.81 94.16 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.232 1.288 . . . . 0.0 110.251 176.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.17 -32.3 19.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.463 -177.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -23.17 96.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.752 2.021 . . . . 0.0 112.354 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.99 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.886 2.184 . . . . 0.0 115.378 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -53.48 -56.97 12.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.854 1.827 . . . . 0.0 109.732 177.494 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 147.02 4.77 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 112.561 -2.109 . . . . 0.0 109.715 175.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.58 88.99 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 118.838 1.319 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.78 -50.59 70.42 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -47.62 -57.52 5.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.841 1.257 . . . . 0.0 109.412 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.6 mt -60.04 -53.34 58.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.485 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -44.59 -58.3 3.1 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.25 1.02 . . . . 0.0 111.261 178.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -50.97 -48.17 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.613 178.504 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.36 -44.95 86.05 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.765 178.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.432 ' HE3' ' HHB' ' A' ' 80' ' ' HEC . 1.3 mmm -54.08 -48.52 70.57 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.873 2.124 . . . . 0.0 109.207 176.13 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -58.45 -48.58 80.26 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.03 -49.75 35.33 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 125.652 1.596 . . . . 0.0 111.436 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' THR . 39.4 m-85 -64.28 -62.28 1.71 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.62 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.71 -48.55 20.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.859 1.264 . . . . 0.0 113.872 -176.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -78.11 0.39 24.97 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.767 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.31 43.28 46.99 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.827 0.727 . . . . 0.0 113.331 176.867 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -115.19 -59.14 2.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.896 0.848 . . . . 0.0 108.893 175.63 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -76.7 57.37 1.26 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.648 0.779 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.04 46.92 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 120.967 -1.083 . . . . 0.0 112.501 -178.215 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.64 -56.01 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -179.046 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -84.8 -127.63 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.059 0.944 . . . . 0.0 108.935 -178.466 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -48.54 -36.4 15.34 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.079 1.308 . . . . 0.0 111.496 177.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.08 -26.17 1.73 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.979 2.112 . . . . 0.0 112.181 177.457 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.52 79.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 111.869 176.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.58 -55.03 31.01 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.928 0.87 . . . . 0.0 108.999 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ttp -54.15 -44.81 71.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.639 1.176 . . . . 0.0 109.523 177.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 44' ' ' TYR . 32.6 m -54.32 -54.11 44.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.984 0.914 . . . . 0.0 108.912 176.189 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.68 76.63 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.478 0.581 . . . . 0.0 110.273 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.11 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.111 0.414 . . . . 0.0 110.629 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.57 -33.23 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.933 -0.48 . . . . 0.0 111.689 -177.758 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.88 -24.12 65.71 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.269 -0.895 . . . . 0.0 111.482 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -78.33 -5.21 51.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.586 0.63 . . . . 0.0 111.796 177.74 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.46 -167.69 1.44 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.838 1.255 . . . . 0.0 110.516 177.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -147.63 161.08 41.88 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -37.3 -53.79 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.918 -175.079 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -50.68 -51.44 49.37 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 123.921 0.889 . . . . 0.0 109.75 178.48 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.383 -176.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.55 -54.28 45.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.056 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -57.26 -46.36 83.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 3' ' ' GLY . . . -65.3 -35.12 80.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.329 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.93 -52.92 57.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.33 54.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.247 0.342 . . . . 0.0 110.682 178.267 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.21 -56.93 15.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.578 0.351 . . . . 0.0 111.306 178.047 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -56.22 -54.3 46.85 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.522 0.677 . . . . 0.0 110.791 -177.546 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.51 -30.38 68.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.321 1.048 . . . . 0.0 112.42 177.724 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -77.97 8.25 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.531 -0.731 . . . . 0.0 111.516 174.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -137.07 40.52 2.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.399 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -175.489 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.739 HBC2 ' HHD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 116.841 -1.552 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.76 158.78 41.46 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 119.882 1.219 . . . . 0.0 108.481 177.338 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -39.33 -47.62 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.045 1.307 . . . . 0.0 113.411 176.429 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.92 51.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.08 0.94 . . . . 0.0 111.035 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.03 -47.55 68.29 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.642 0.377 . . . . 0.0 110.166 178.577 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.41 -53.72 54.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.258 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -50.69 -36.16 34.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.239 1.015 . . . . 0.0 113.293 -176.637 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -45.79 -41.36 10.81 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.412 0.551 . . . . 0.0 111.411 177.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.16 -39.08 85.13 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 111.638 179.269 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.34 -29.11 53.31 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.603 1.961 . . . . 0.0 111.71 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.1 mt -45.5 -39.1 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 123.639 0.776 . . . . 0.0 110.006 177.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.87 -35.96 6.41 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.141 0.876 . . . . 0.0 113.553 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.558 ' SG ' ' HB1' ' A' ' 22' ' ' ALA . 21.7 t -110.12 -33.42 6.68 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 118.352 1.076 . . . . 0.0 112.122 -179.079 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 29' ' ' VAL . 57.9 m-70 -93.27 -32.32 14.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -174.124 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.67 162.83 36.77 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.63 -58.53 5.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.155 0.582 . . . . 0.0 111.027 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.66 32.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 112.49 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 31.06 60.81 0.24 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 126.964 2.221 . . . . 0.0 114.38 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.0 m -142.01 -9.56 0.89 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.032 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -72.55 160.86 31.58 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 120.975 1.716 . . . . 0.0 110.976 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 91.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.4 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB1' ' SG ' ' A' ' 13' ' ' CYS . . . -56.05 168.03 0.54 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.716 0.806 . . . . 0.0 110.188 174.393 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.532 ' HB2' HBC1 ' A' ' 80' ' ' HEC . 46.3 mtt -56.18 122.02 10.79 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.506 -178.792 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.53 73.13 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.384 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 65.93 165.67 0.19 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 0.0 113.563 178.273 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.98 157.06 6.41 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.409 1.084 . . . . 0.0 109.42 -178.585 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -64.54 146.09 98.3 Favored Pre-proline 0 C--N 1.342 0.271 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 169.283 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.2 141.45 57.17 Favored 'Trans proline' 0 N--CA 1.439 -1.712 0 N-CA-C 108.077 -1.547 . . . . 0.0 108.077 176.348 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 14' ' ' HIS . 11.0 t -80.85 -27.89 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.786 1.234 . . . . 0.0 108.587 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -27.64 95.66 0.01 OUTLIER 'General case' 0 C--N 1.343 0.297 0 C-N-CA 127.754 2.422 . . . . 0.0 111.015 177.317 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 35.71 52.51 1.11 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 127.05 2.262 . . . . 0.0 115.501 -179.243 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -50.6 -54.01 26.07 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 123.367 1.556 . . . . 0.0 109.157 176.131 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.89 150.4 5.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 128.103 2.764 . . . . 0.0 109.132 173.384 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.66 99.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.925 0.862 . . . . 0.0 111.77 -178.289 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -59.69 -55.35 35.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -49.57 -60.83 2.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.42 1.488 . . . . 0.0 109.312 177.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD23 HMA3 ' A' ' 80' ' ' HEC . 45.8 mt -56.73 -44.46 81.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.706 1.202 . . . . 0.0 111.222 -177.617 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.44 -55.37 35.91 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.209 0.913 . . . . 0.0 109.885 178.67 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -53.7 -55.53 25.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.85 -49.82 76.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.354 1.062 . . . . 0.0 111.614 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.403 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.3 ppp? -65.88 -37.04 85.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 110.96 -178.373 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.63 -42.93 98.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 172.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.19 -51.03 49.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 176.558 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.68 -55.77 30.82 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.894 0.878 . . . . 0.0 109.571 176.376 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 61' ' ' VAL . . . -52.83 -45.82 67.47 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.413 0.685 . . . . 0.0 111.779 -179.135 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.86 -41.47 95.64 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.716 0.807 . . . . 0.0 109.873 177.264 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 17.9 17.91 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.788 1.185 . . . . 0.0 111.542 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.53 -57.99 2.74 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.012 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -75.68 69.07 2.35 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.421 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.51 -174.48 33.41 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 119.278 0.945 . . . . 0.0 112.537 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.63 162.96 10.15 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.323 1.916 . . . . 0.0 108.965 -176.669 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 49.32 -131.89 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.391 1.077 . . . . 0.0 109.947 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -52.41 -31.85 36.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 126.95 2.1 . . . . 0.0 111.932 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.8 -10.1 25.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.167 0.587 . . . . 0.0 111.076 -175.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.71 82.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.746 0.703 . . . . 0.0 109.938 171.756 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttm -61.36 -56.65 17.96 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.064 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.9 ttp -53.01 -48.84 67.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.29 1.436 . . . . 0.0 109.254 178.477 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 m -50.52 -57.67 7.56 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.694 1.198 . . . . 0.0 109.516 176.629 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -40.71 86.7 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.547 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -57.88 11.0 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.304 0.502 . . . . 0.0 110.551 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 57' ' ' MET . 15.3 m -67.12 -25.17 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.514 -0.741 . . . . 0.0 112.206 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -54.76 -30.44 56.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.688 1.131 . . . . 0.0 109.863 176.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -69.16 -19.47 64.01 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.15 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.78 139.48 31.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.38 1.072 . . . . 0.0 111.784 -175.667 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.1 t -87.84 168.27 13.07 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.066 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -47.8 -45.79 29.94 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.038 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -54.28 -50.45 67.24 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.584 1.153 . . . . 0.0 110.581 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -64.99 -48.01 75.51 Favored 'General case' 0 N--CA 1.426 -1.628 0 C-N-CA 124.935 1.294 . . . . 0.0 109.569 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD22 ' SD ' ' A' ' 41' ' ' MET . 95.1 mt -51.76 -56.16 15.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.972 0.909 . . . . 0.0 109.575 178.051 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -53.88 -51.0 65.06 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.207 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.97 73.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -45.5 77.22 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.24 49.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.412 0.285 . . . . 0.0 110.35 176.187 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -51.83 -46.03 64.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.188 0.595 . . . . 0.0 110.575 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.88 -60.71 3.36 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.832 -0.542 . . . . 0.0 109.958 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.5 mtm -52.49 -30.23 29.02 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.734 0.813 . . . . 0.0 112.321 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -66.41 -18.2 65.22 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -131.87 57.72 1.76 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -177.469 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 26.5 tp . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -172.573 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.785 HBC2 ' HHD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 116.765 -1.588 . . . . 0.0 106.824 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.0 -65.69 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 123.518 1.628 . . . . 0.0 111.975 -178.471 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.13 -60.29 3.11 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 112.338 -2.21 . . . . 0.0 111.326 -175.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 -64.44 0.95 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -175.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.5 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 123.224 0.61 . . . . 0.0 112.502 -177.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.53 -57.91 3.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 175.318 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -52.77 -27.03 16.09 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.561 1.544 . . . . 0.0 114.532 -175.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -54.67 -29.0 51.48 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.853 0.751 . . . . 0.0 110.726 176.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.6 2.39 33.53 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 -178.583 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -124.81 -37.54 2.46 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.3 1.44 . . . . 0.0 111.092 -173.645 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.4 pt -45.22 -37.73 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.412 178.454 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.98 -35.08 17.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.552 0.596 . . . . 0.0 112.319 179.303 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -109.95 -30.07 7.97 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 117.702 0.751 . . . . 0.0 111.999 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CE1' HG23 ' A' ' 29' ' ' VAL . 35.4 m-70 -87.74 -23.96 23.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -176.585 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 175.13 37.75 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.27 20.79 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.549 1.14 . . . . 0.0 113.033 -176.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.25 69.45 1.46 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -177.121 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.42 35.2 2.7 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.473 1.511 . . . . 0.0 112.199 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.13 -39.77 22.82 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.164 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -97.28 152.04 19.27 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -173.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.18 92.38 0.55 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.083 0.953 . . . . 0.0 108.561 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB1' ' CHD' ' A' ' 80' ' ' HEC . . . -48.31 142.82 5.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.649 0.78 . . . . 0.0 111.176 179.63 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 41.3 mtt 50.92 21.05 0.88 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.755 1.222 . . . . 0.0 112.644 -173.576 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.25 18.99 56.74 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.264 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -171.57 80.78 0.07 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.649 1.224 . . . . 0.0 108.376 -177.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -168.92 151.54 4.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -67.8 120.93 77.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 171.317 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.58 140.61 75.53 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 N-CA-C 108.631 -1.334 . . . . 0.0 108.631 176.282 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 14' ' ' HIS . 2.0 t -52.28 -45.1 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.655 -178.551 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 5.13 65.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 129.151 2.981 . . . . 0.0 113.399 -177.198 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.96 57.14 2.06 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.412 1.958 . . . . 0.0 115.014 -178.069 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -37.79 -59.08 0.85 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.823 1.297 . . . . 0.0 111.697 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.79 148.09 5.86 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 127.561 2.505 . . . . 0.0 107.102 177.328 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.908 1.854 . . . . 0.0 111.779 -177.084 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.58 -54.88 41.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.985 0.514 . . . . 0.0 109.71 178.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -49.29 -60.87 2.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.164 1.386 . . . . 0.0 109.032 178.274 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.36 -61.0 2.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.844 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -45.48 -52.87 9.65 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.108 0.867 . . . . 0.0 112.187 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.85 -41.38 82.25 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.25 0.22 . . . . 0.0 110.864 178.631 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -72.41 -45.71 58.45 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.3 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.47 92.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 121.918 2.145 . . . . 0.0 109.366 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -60.01 -42.3 94.0 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.31 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.35 -62.07 2.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 127.321 2.391 . . . . 0.0 110.101 173.565 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 22.9 m-85 -61.04 -48.47 81.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 113.96 -1.12 . . . . 0.0 110.371 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.11 73.9 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.675 0.67 . . . . 0.0 111.489 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.72 -32.64 63.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.238 0.615 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.3 -9.52 69.6 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.839 0.733 . . . . 0.0 112.07 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -65.36 -54.65 25.73 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.18 0.992 . . . . 0.0 108.826 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 17.9 t80 -64.96 -29.4 70.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.467 1.127 . . . . 0.0 112.191 178.236 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.83 62.98 0.91 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 127.152 2.311 . . . . 0.0 114.516 -177.583 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.96 118.9 12.04 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.879 1.228 . . . . 0.0 112.005 178.823 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 35.93 -92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.679 2.392 . . . . 0.0 113.791 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -49.24 -37.56 23.75 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 124.472 1.109 . . . . 0.0 111.95 -178.438 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -71.51 -6.86 43.69 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.696 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.97 -38.42 62.11 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.526 0.731 . . . . 0.0 111.1 176.607 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.2 ttm -56.22 -49.2 74.79 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.097 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttm -61.36 -46.46 90.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.208 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -49.14 -55.28 12.83 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.26 0.624 . . . . 0.0 109.594 175.126 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -37.86 87.22 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.286 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.47 -56.21 22.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.414 0.552 . . . . 0.0 110.243 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.87 -28.74 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.505 -0.747 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.03 -22.18 60.27 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.715 0.689 . . . . 0.0 110.971 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -66.6 -21.6 66.13 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.111 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.77 163.98 12.95 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.047 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -113.98 167.81 10.34 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.457 1.103 . . . . 0.0 109.855 179.063 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -44.74 -47.08 10.75 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.12 0.968 . . . . 0.0 113.332 -175.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.9 -46.99 78.24 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.55 0.69 . . . . 0.0 110.935 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.32 -51.22 68.53 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.219 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -49.06 -52.16 27.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.043 0.537 . . . . 0.0 110.839 178.849 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -57.97 -49.06 78.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.082 0.468 . . . . 0.0 109.773 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.88 70.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.54 -48.98 52.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -178.513 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -56.41 16.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.08 173.153 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -54.19 -47.27 72.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.725 0.41 . . . . 0.0 111.698 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.09 -58.35 9.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.443 0.697 . . . . 0.0 109.976 178.5 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.7 mtm -56.96 -30.91 64.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -177.822 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 m -54.58 -18.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.155 0.889 . . . . 0.0 113.141 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -93.49 1.6 56.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.702 -178.213 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.429 -1.512 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.074 -177.371 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.744 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 117.43 -1.271 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -111.63 136.01 51.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.19 0.905 . . . . 0.0 111.717 -177.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -42.64 -31.28 1.05 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 127.096 2.284 . . . . 0.0 115.022 177.375 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.83 -37.75 44.81 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.061 0.931 . . . . 0.0 111.676 177.552 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -53.38 24.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.416 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.8 -40.28 41.09 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.103 1.361 . . . . 0.0 112.002 -177.157 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -38.94 -39.75 0.57 Allowed 'General case' 0 C--N 1.339 0.11 0 C-N-CA 125.642 1.577 . . . . 0.0 112.854 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -37.12 4.19 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.169 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -69.09 -21.62 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.689 1.196 . . . . 0.0 113.153 -178.49 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.4 -16.57 27.18 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.166 1.787 . . . . 0.0 111.981 -175.734 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -52.2 159.03 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.142 0.977 . . . . 0.0 108.964 175.598 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.38 -56.42 4.51 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -176.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.78 -46.57 16.74 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.312 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -97.58 -6.37 33.56 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.01 170.41 13.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 121.273 -0.892 . . . . 0.0 111.911 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.64 73.41 2.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.498 0.719 . . . . 0.0 109.647 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t0 72.39 97.58 0.07 Allowed 'General case' 0 C--N 1.338 0.066 0 C-N-CA 126.746 2.019 . . . . 0.0 110.611 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.71 -32.86 0.17 Allowed Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.972 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t 61.98 56.44 2.32 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.069 1.748 . . . . 0.0 111.071 -177.231 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -57.7 164.7 1.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.255 175.084 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.13 110.36 0.92 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.641 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.04 -129.08 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.988 0.915 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mtp -75.64 68.95 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.419 -0.801 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.35 -178.7 17.16 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.974 1.75 . . . . 0.0 109.864 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -72.23 62.11 0.48 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.398 1.479 . . . . 0.0 110.962 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 136.6 57.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.497 -177.068 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -54.99 134.0 67.55 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 171.004 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.25 122.73 10.04 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.1 -43.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 175.201 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -47.43 108.33 0.15 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.924 0.889 . . . . 0.0 109.403 177.134 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.0 7.02 83.8 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 117.03 -1.983 . . . . 0.0 116.787 173.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 7.6 pt20 -74.24 -175.56 2.32 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.041 2.92 . . . . 0.0 107.412 172.552 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.68 132.33 11.31 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 119.928 -1.732 . . . . 0.0 114.379 -169.287 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -45.88 10.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.101 1.36 . . . . 0.0 112.086 174.634 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.53 -52.41 65.68 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 123.784 0.834 . . . . 0.0 110.162 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.98 -55.93 22.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.406 1.082 . . . . 0.0 108.373 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD23 HMA3 ' A' ' 80' ' ' HEC . 80.7 mt -56.13 -46.73 79.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.84 1.256 . . . . 0.0 111.663 -178.304 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.69 -57.64 12.04 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.193 0.906 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -56.27 -49.5 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.006 -178.531 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.03 -40.58 78.53 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.499 0.72 . . . . 0.0 111.837 -178.744 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' ' 69' ' ' LEU . 3.2 ppp? -65.78 -40.05 91.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.146 0.885 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -60.28 -50.94 71.66 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 172.002 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.96 -43.98 61.64 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.827 0.727 . . . . 0.0 111.787 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.05 -53.12 60.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.268 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.92 63.11 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.822 0.737 . . . . 0.0 111.241 177.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -69.64 -14.31 62.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.664 1.186 . . . . 0.0 111.908 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.47 73.01 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.372 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 p -103.16 -55.5 2.4 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.913 0.885 . . . . 0.0 108.807 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -75.2 64.31 1.43 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.103 0.561 . . . . 0.0 109.853 179.45 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.63 -171.28 39.25 Favored Glycine 0 CA--C 1.523 0.572 0 O-C-N 121.067 -1.021 . . . . 0.0 112.429 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.0 165.76 36.02 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 29.92 -98.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.648 2.379 . . . . 0.0 113.435 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -44.77 -37.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.602 1.961 . . . . 0.0 113.832 -178.811 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -66.56 -24.93 66.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.309 0.644 . . . . 0.0 112.297 -177.244 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.91 -45.65 2.59 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.496 1.118 . . . . 0.0 113.401 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.16 -52.17 66.66 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.192 0.52 . . . . 0.0 109.962 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 ttp -59.11 -49.33 78.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 m -47.19 -53.93 11.94 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.434 1.093 . . . . 0.0 110.096 176.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -42.83 99.49 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.768 179.473 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.65 87.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.915 0.325 . . . . 0.0 111.415 -178.477 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.43 -40.65 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -59.25 -10.45 2.95 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.607 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -56.11 -36.73 68.5 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.145 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.31 150.91 43.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.417 1.487 . . . . 0.0 111.601 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -82.49 -84.44 0.12 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.432 1.493 . . . . 0.0 112.509 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -155.48 -53.49 0.09 Allowed 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 125.862 1.665 . . . . 0.0 108.881 179.309 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -48.09 -51.4 24.7 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 173.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.79 -49.85 75.81 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 126.147 1.779 . . . . 0.0 111.93 179.063 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD22 ' SD ' ' A' ' 41' ' ' MET . 66.6 mt -53.44 -53.69 47.76 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.47 0.708 . . . . 0.0 109.438 179.654 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -59.31 -44.56 92.56 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 124.357 1.063 . . . . 0.0 110.176 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.6 78.67 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.648 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.13 -49.28 70.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.389 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.83 -54.36 39.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.081 0.238 . . . . 0.0 111.346 176.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.03 -53.84 47.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.593 0.357 . . . . 0.0 110.948 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.5 -60.32 3.37 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.395 0.678 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.7 mtm -57.76 -30.07 65.32 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.823 0.849 . . . . 0.0 112.458 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -72.03 -14.5 61.89 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.742 -0.599 . . . . 0.0 112.2 176.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -128.21 54.82 1.71 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -176.522 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.433 -1.317 0 C-N-CA 125.858 1.663 . . . . 0.0 108.36 -171.645 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.581 HMB1 HBB3 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.6 145.73 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.872 0.732 . . . . 0.0 110.096 178.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.01 -65.07 2.65 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -177.208 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.01 -48.24 61.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.336 1.454 . . . . 0.0 111.409 -178.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.07 -43.13 60.96 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.647 0.779 . . . . 0.0 111.3 179.057 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.9 -44.84 60.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -51.1 -41.24 59.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.287 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -39.81 -51.92 2.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.158 0.583 . . . . 0.0 112.513 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -46.0 83.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.05 0.94 . . . . 0.0 112.127 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -59.54 -29.41 67.88 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.662 1.985 . . . . 0.0 111.164 -174.553 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -47.36 -35.61 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.705 0.802 . . . . 0.0 110.492 178.306 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.83 -34.8 11.47 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.48 -0.622 . . . . 0.0 113.252 178.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -112.57 -33.4 6.16 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.72 0.808 . . . . 0.0 111.767 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -87.25 -28.83 22.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -175.429 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.48 159.46 28.17 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -173.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.19 -58.8 5.18 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.236 0.614 . . . . 0.0 111.242 -177.091 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -90.14 33.98 0.87 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.301 1.04 . . . . 0.0 112.356 -179.098 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.76 32.82 6.07 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.555 1.074 . . . . 0.0 114.255 177.776 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -68.08 -43.33 78.8 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.959 1.704 . . . . 0.0 110.77 -177.798 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt 48.36 -177.7 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 129.41 3.084 . . . . 0.0 117.772 175.893 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.16 37.22 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.206 3.802 . . . . 0.0 104.78 169.346 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CHD' ' A' ' 80' ' ' HEC . . . -62.05 133.0 54.74 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.204 -174.795 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.1 mtt 44.5 46.35 8.04 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 124.131 0.895 . . . . 0.0 110.087 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.69 4.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -156.3 137.76 13.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.839 -0.8 . . . . 0.0 109.376 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.27 166.87 28.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.754 1.221 . . . . 0.0 108.326 -178.359 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.84 110.7 2.1 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 125.342 1.457 . . . . 0.0 108.067 177.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.81 137.16 74.9 Favored 'Trans proline' 0 N--CA 1.443 -1.491 0 CA-C-N 120.008 1.039 . . . . 0.0 110.052 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.28 -35.21 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -30.95 100.93 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 126.832 2.053 . . . . 0.0 111.134 175.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 47.95 26.36 4.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.467 1.508 . . . . 0.0 116.199 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.295 1.7 pt20 -71.12 161.59 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.847 2.323 . . . . 0.0 105.226 172.224 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 141.21 37.97 Favored Glycine 0 C--O 1.223 -0.593 0 O-C-N 120.485 -1.384 . . . . 0.0 113.923 -168.819 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.92 58.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.153 0.981 . . . . 0.0 110.117 174.26 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -57.47 -59.06 5.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.009 176.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -53.45 -58.61 6.54 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 125.622 1.569 . . . . 0.0 108.957 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' CD2' HMA3 ' A' ' 80' ' ' HEC . 25.9 mt -51.22 -53.18 37.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.109 0.964 . . . . 0.0 111.124 -178.578 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.58 -52.69 64.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 117.614 0.188 . . . . 0.0 110.504 -179.389 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.47 -50.7 70.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.755 0.312 . . . . 0.0 111.579 -177.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -63.68 -46.06 87.27 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.45 0.7 . . . . 0.0 111.242 -178.833 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.447 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.6 ppp? -64.72 -41.81 95.7 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 122.079 -0.388 . . . . 0.0 110.335 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -61.54 -41.86 97.97 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.578 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.61 -53.46 20.95 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 126.306 1.908 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -62.18 -56.1 22.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.756 0.422 . . . . 0.0 110.312 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.71 -50.62 32.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.93 0.492 . . . . 0.0 111.741 -178.054 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.36 -55.47 11.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.454 1.102 . . . . 0.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.39 30.4 1.56 Allowed Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.658 1.599 . . . . 0.0 111.688 -178.085 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -2.74 28.74 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.826 1.651 . . . . 0.0 110.6 177.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -143.93 161.61 38.28 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.833 0.742 . . . . 0.0 110.613 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.23 109.68 1.38 Allowed Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.632 -1.787 . . . . 0.0 108.632 -176.581 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.15 -49.54 18.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.312 0.958 . . . . 0.0 111.602 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.04 35.34 4.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.472 1.509 . . . . 0.0 108.618 175.033 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 70.82 -33.12 0.26 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 128.268 2.627 . . . . 0.0 114.355 178.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.32 55.4 mttm 72.18 42.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.059 1.344 . . . . 0.0 109.451 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.24 -66.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 129.827 3.251 . . . . 0.0 116.888 -176.418 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -57.57 -50.43 73.14 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.85 0.834 . . . . 0.0 110.32 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 ttp -62.6 -42.39 99.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.95 -52.09 59.22 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 118.062 0.392 . . . . 0.0 109.998 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -57.49 -44.17 84.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.03 0.532 . . . . 0.0 109.595 -179.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.3 36.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.7 m -66.19 -36.97 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.765 -178.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.55 -30.25 69.66 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.383 -0.823 . . . . 0.0 111.324 -178.866 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -78.15 -9.21 59.07 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.057 0.543 . . . . 0.0 111.965 177.274 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.57 129.98 34.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.617 1.167 . . . . 0.0 108.485 179.165 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -74.81 168.69 19.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.003 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -45.12 -48.12 12.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.784 0.72 . . . . 0.0 112.896 -178.133 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.7 -47.59 81.94 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 123.88 0.872 . . . . 0.0 110.972 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -64.2 -40.29 95.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.818 -0.61 . . . . 0.0 110.849 177.756 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD22 ' SD ' ' A' ' 41' ' ' MET . 94.4 mt -54.51 -53.6 52.27 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.008 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -60.28 -49.37 77.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.334 0.653 . . . . 0.0 110.352 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -51.78 66.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.51 -52.85 60.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.412 0.285 . . . . 0.0 111.573 176.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -51.61 -49.9 61.27 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.356 -0.215 . . . . 0.0 111.258 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -60.56 -53.5 56.72 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.369 0.668 . . . . 0.0 111.038 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.1 mtm -57.67 -32.98 67.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 124.322 1.049 . . . . 0.0 111.95 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -78.66 10.55 3.16 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.712 -0.617 . . . . 0.0 111.572 176.072 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -141.78 41.81 1.7 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.533 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 79' ' ' LEU . 5.1 mt . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 -177.08 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.618 HBB2 ' HHC' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.861 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.17 158.98 44.66 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 119.91 1.232 . . . . 0.0 109.843 178.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -41.37 -54.69 3.88 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 125.609 1.576 . . . . 0.0 113.056 177.21 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -51.33 69.27 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.711 0.755 . . . . 0.0 111.416 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.34 92.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.144 0.177 . . . . 0.0 110.962 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.61 -50.17 70.44 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.816 0.446 . . . . 0.0 111.439 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -41.0 -41.71 1.72 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 126.198 1.799 . . . . 0.0 113.717 -175.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -43.5 -41.78 4.56 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.537 1.535 . . . . 0.0 112.347 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -69.18 -18.07 63.88 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -88.38 -22.37 23.81 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.226 1.81 . . . . 0.0 111.207 -177.022 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.75 148.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.94 1.27 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -175.066 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.75 -42.27 10.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.764 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CE1' HG21 ' A' ' 29' ' ' VAL . 95.9 m-70 -102.31 -14.01 17.12 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.743 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.26 -165.0 51.95 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -176.504 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -71.02 0.3 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.114 -0.639 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -84.03 49.17 1.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.355 1.062 . . . . 0.0 112.316 -174.311 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.65 35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.088 0 C-N-CA 128.459 2.933 . . . . 0.0 114.847 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -90.76 -49.32 6.52 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.866 2.066 . . . . 0.0 112.31 -169.833 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -52.53 123.27 10.63 Favored 'General case' 0 N--CA 1.424 -1.773 0 C-N-CA 124.351 1.061 . . . . 0.0 110.188 -178.061 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.59 48.77 0.47 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.594 1.557 . . . . 0.0 111.542 -177.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 56.48 -168.47 0.1 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.63 1.172 . . . . 0.0 110.466 -176.194 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.17 60.29 4.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.47 -109.08 0.31 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 m -153.05 54.84 0.77 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.588 0.694 . . . . 0.0 110.417 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.05 160.89 24.4 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.604 1.162 . . . . 0.0 110.201 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -62.55 128.98 92.32 Favored Pre-proline 0 C--O 1.233 0.211 0 O-C-N 121.118 -0.988 . . . . 0.0 109.146 178.393 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.65 147.95 67.65 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 174.252 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG21 ' CE1' ' A' ' 14' ' ' HIS . 16.1 t -93.01 -37.11 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.508 0.723 . . . . 0.0 110.201 -173.468 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -35.74 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.126 1.77 . . . . 0.0 110.988 178.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.44 39.05 95.74 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 117.21 -1.884 . . . . 0.0 116.911 176.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.01 -49.61 73.16 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 121.465 2.633 . . . . 0.0 107.506 170.954 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.6 141.61 3.45 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 128.412 2.91 . . . . 0.0 110.009 171.665 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -41.74 6.94 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.368 1.067 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -62.13 -53.39 56.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.137 0.975 . . . . 0.0 110.217 179.045 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.76 -58.36 8.71 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.101 1.36 . . . . 0.0 108.401 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD23 HMA3 ' A' ' 80' ' ' HEC . 50.8 mt -53.26 -47.71 68.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.688 1.595 . . . . 0.0 110.633 -178.86 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.57 -50.48 73.63 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.733 0.697 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.22 -54.69 44.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.084 0.469 . . . . 0.0 110.992 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.88 -49.77 76.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 124.8 1.24 . . . . 0.0 111.703 -178.5 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 -179.287 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.76 -41.39 99.19 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.463 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.94 -51.11 30.7 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 125.68 1.61 . . . . 0.0 110.18 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 54' ' ' LYS . 19.2 m-85 -72.18 -37.74 69.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.986 178.314 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.64 89.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.667 1.121 . . . . 0.0 110.304 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.07 -42.64 75.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.452 0.701 . . . . 0.0 109.601 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 27.12 7.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.965 1.269 . . . . 0.0 111.763 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.75 -47.44 7.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 109.26 178.296 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -76.62 153.57 35.15 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.97 163.13 15.61 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 126.396 1.95 . . . . 0.0 110.508 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.42 -80.57 1.33 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 105.487 -3.045 . . . . 0.0 105.487 174.915 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -79.52 37.98 0.36 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 109.861 173.478 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -32.53 0.21 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 129.282 3.033 . . . . 0.0 117.054 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 44' ' ' TYR 0.256 26.6 mttm 75.41 36.76 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 127.425 2.29 . . . . 0.0 109.357 -175.002 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -19.95 -64.06 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 129.384 3.073 . . . . 0.0 116.292 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.9 tpp -52.88 -54.29 36.73 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.292 0.567 . . . . 0.0 109.76 -179.533 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.1 ttp -61.23 -48.72 80.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.33 -0.843 . . . . 0.0 108.728 177.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -46.51 -58.85 3.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.507 0.723 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -40.61 87.08 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.77 -0.581 . . . . 0.0 111.234 -178.158 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.46 80.63 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.342 0.519 . . . . 0.0 110.286 -177.473 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.62 -30.59 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.693 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -51.64 -25.9 7.99 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.998 0.817 . . . . 0.0 112.947 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.19 -23.43 66.61 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 121.68 -0.637 . . . . 0.0 111.999 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 116.17 8.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.576 1.15 . . . . 0.0 110.218 178.032 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -68.72 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -175.058 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -158.73 -59.9 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.732 0.813 . . . . 0.0 110.307 -177.205 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.32 -48.37 46.42 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.953 1.358 . . . . 0.0 107.714 174.026 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -53.72 -55.57 25.07 Favored 'General case' 0 N--CA 1.422 -1.835 0 C-N-CA 129.409 3.084 . . . . 0.0 109.985 176.517 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.7 mt -53.11 -56.08 19.04 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.102 0.477 . . . . 0.0 110.602 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -57.86 -52.57 64.93 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.303 0.573 . . . . 0.0 110.426 -179.104 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.58 71.23 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.94 -43.96 70.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.58 64.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.181 174.783 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.52 -49.04 65.61 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.471 0.308 . . . . 0.0 110.226 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -55.16 -59.91 4.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.881 0.872 . . . . 0.0 110.006 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.9 mtm -59.09 -25.63 63.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -78.77 -2.37 39.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.389 176.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -143.19 55.96 1.38 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.254 1.332 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 -172.915 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.431 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -119.06 138.97 52.49 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.648 1.113 . . . . 0.0 111.832 -177.748 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -44.32 -32.41 2.64 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.717 2.103 . . . . 0.0 114.52 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.07 -35.04 59.11 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.571 1.185 . . . . 0.0 112.034 178.532 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.61 -53.31 23.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.43 -49.73 61.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.021 1.329 . . . . 0.0 110.65 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.28 -32.17 6.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.111 0.964 . . . . 0.0 113.568 -176.448 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.33 -28.87 45.49 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.324 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -74.82 -24.24 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.637 0.653 . . . . 0.0 112.272 177.596 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -82.32 -34.16 28.66 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.231 1.812 . . . . 0.0 110.069 -178.257 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.58 138.34 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.564 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -41.3 2.24 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 107.019 -2.432 . . . . 0.0 107.019 -173.322 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 t -102.0 -37.73 8.07 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.262 1.031 . . . . 0.0 109.662 175.869 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CE1' HG21 ' A' ' 29' ' ' VAL . 59.6 m-70 -98.47 -6.3 30.65 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -176.358 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.9 175.62 42.12 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -173.632 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.23 49.67 1.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.981 -1.305 . . . . 0.0 111.086 -179.217 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -178.17 -54.55 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.104 0.961 . . . . 0.0 112.615 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.94 46.01 0.16 Allowed Glycine 0 C--N 1.334 0.465 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -175.175 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 p -103.67 -66.99 0.91 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -171.824 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -61.9 166.63 4.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.306 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 72.41 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.859 2.064 . . . . 0.0 112.892 -176.934 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 117.96 4.23 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.345 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.502 ' HG2' ' HHD' ' A' ' 80' ' ' HEC . 16.7 mmt 64.12 -64.17 0.14 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.401 1.88 . . . . 0.0 110.91 -168.712 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.91 1.58 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.347 -1.901 . . . . 0.0 108.347 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -71.82 52.91 0.23 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.146 1.378 . . . . 0.0 113.804 -178.159 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.77 33.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.646 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -59.46 124.17 74.1 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.351 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -55.93 142.41 84.69 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 N-CA-C 108.842 -1.253 . . . . 0.0 108.842 174.621 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 14' ' ' HIS . 6.1 t -92.81 -33.42 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.445 1.098 . . . . 0.0 110.328 -173.526 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -46.78 101.51 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.197 1.799 . . . . 0.0 109.158 177.424 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.46 94.04 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.937 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.08 -56.79 16.87 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 121.201 2.5 . . . . 0.0 107.608 172.118 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.57 140.23 3.06 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 128.237 2.827 . . . . 0.0 109.241 175.201 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.99 4.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.476 1.51 . . . . 0.0 113.133 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.53 -48.96 77.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.224 0.466 . . . . 0.0 110.42 -179.509 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -53.19 -52.85 57.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.503 1.121 . . . . 0.0 109.161 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.99 -65.72 0.6 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.516 1.127 . . . . 0.0 108.705 179.583 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.33 -58.45 0.83 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.684 1.594 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -49.32 -44.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 112.391 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -75.86 -45.74 34.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.222 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.75 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.889 1.677 . . . . 0.0 109.577 176.482 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.86 -42.9 84.88 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.874 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.32 -61.05 3.35 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 127.574 2.511 . . . . 0.0 110.707 174.283 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.16 -48.54 75.61 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -179.527 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.7 70.11 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.094 0.861 . . . . 0.0 111.815 179.047 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.73 -1.33 42.26 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.199 0.6 . . . . 0.0 111.225 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 40.95 92.82 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -176.616 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -138.94 31.91 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.037 0.935 . . . . 0.0 111.196 -177.019 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -153.09 151.1 29.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 176.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.94 123.48 2.79 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.237 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.33 -48.88 39.9 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 117.796 0.798 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.93 33.27 4.51 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.488 1.515 . . . . 0.0 108.743 175.716 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 65.46 -26.86 0.1 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 130.1 3.36 . . . . 0.0 117.867 176.429 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.292 38.6 mttm 72.16 41.54 0.63 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 125.834 1.654 . . . . 0.0 110.125 -177.307 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.08 -67.61 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.627 3.171 . . . . 0.0 117.111 -175.811 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -57.93 -48.71 79.12 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.758 -0.589 . . . . 0.0 110.324 -178.187 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.436 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -55.52 16.4 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 109.738 176.195 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -41.38 94.2 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.631 0.373 . . . . 0.0 110.514 -179.363 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.44 -55.05 39.76 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.73 -29.18 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.516 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -55.31 -32.21 62.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.043 0.838 . . . . 0.0 111.232 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.77 -21.15 63.45 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.94 0.496 . . . . 0.0 111.95 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.11 130.49 34.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.423 1.089 . . . . 0.0 111.275 -177.247 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 p -77.46 171.17 15.3 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 175.102 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -41.65 67.03 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.885 -1.135 . . . . 0.0 112.113 179.495 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.41 -57.86 6.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.333 1.063 . . . . 0.0 109.613 176.038 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -61.39 -49.95 74.81 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.119 1.367 . . . . 0.0 110.756 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.0 mt -53.37 -50.78 64.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.778 0.831 . . . . 0.0 110.245 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.01 -47.76 84.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.304 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.09 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.132 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.02 -51.15 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.61 -52.07 65.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.889 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -54.88 -48.03 73.52 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.03 0.532 . . . . 0.0 110.319 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -55.92 -57.46 12.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.594 0.758 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.4 mtm -61.49 -24.17 66.4 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.48 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 9.22 9.33 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.806 174.54 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -141.33 45.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -175.268 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.733 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.84 37.56 0.08 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -175.63 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.46 -53.57 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.588 1.086 . . . . 0.0 112.96 178.759 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -38.2 -52.48 1.46 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.834 2.054 . . . . 0.0 112.963 -177.513 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.58 41.66 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.453 1.101 . . . . 0.0 112.553 -179.504 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.3 mp -85.87 -52.55 5.67 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.7 1.2 . . . . 0.0 108.559 177.032 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -46.09 -40.89 11.51 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.732 1.613 . . . . 0.0 112.879 -176.788 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -18.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.638 1.175 . . . . 0.0 113.622 177.957 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -88.35 -48.6 7.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.425 1.09 . . . . 0.0 109.454 174.255 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 m -60.48 -30.64 69.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.225 1.81 . . . . 0.0 110.935 -175.454 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 pt -49.77 -27.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.761 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.33 -35.36 3.78 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.801 0.715 . . . . 0.0 111.886 176.885 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.6 m -114.05 -43.59 3.23 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.36 0.664 . . . . 0.0 109.995 176.2 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -73.81 -20.95 60.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -173.146 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.57 -177.51 43.72 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -178.888 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.59 -80.41 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.062 -0.67 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.73 51.68 2.08 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.731 1.212 . . . . 0.0 110.981 -175.286 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 0.92 0.01 OUTLIER Glycine 0 CA--C 1.54 1.621 0 C-N-CA 130.149 3.738 . . . . 0.0 119.716 175.907 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -79.18 48.43 0.87 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.937 1.869 . . . . 0.0 112.653 -173.604 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -75.3 169.32 18.29 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -178.742 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.7 68.28 1.07 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 172.099 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.82 -132.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.959 1.303 . . . . 0.0 111.522 -173.972 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptm -69.81 73.63 0.41 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.712 -0.618 . . . . 0.0 111.621 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.82 178.12 32.16 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.068 1.318 . . . . 0.0 110.706 -179.125 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -72.81 61.84 0.56 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.818 1.247 . . . . 0.0 111.655 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.79 150.2 36.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.452 1.101 . . . . 0.0 109.913 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -64.64 124.22 85.53 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.89 117.69 5.08 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.663 1.576 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.14 -40.91 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 C-N-CA 126.551 1.94 . . . . 0.0 113.913 178.402 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -25.94 89.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.599 2.76 . . . . 0.0 112.911 179.421 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.83 44.31 97.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 117.281 -1.844 . . . . 0.0 116.06 178.386 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.75 -53.29 57.05 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.19 2.495 . . . . 0.0 108.471 173.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.92 151.8 6.17 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 127.917 2.675 . . . . 0.0 108.402 176.324 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.13 90.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.539 1.669 . . . . 0.0 112.086 -177.124 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.72 -52.74 63.03 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -47.9 -62.08 1.64 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.805 1.642 . . . . 0.0 108.577 177.469 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 HMA3 ' A' ' 80' ' ' HEC . 36.1 mt -53.81 -59.72 4.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.943 -179.742 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -43.19 -53.61 4.95 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.367 1.067 . . . . 0.0 111.7 179.316 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -58.93 -47.95 83.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.396 178.425 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -60.74 -43.65 97.65 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.731 179.141 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.522 ' SD ' HMA1 ' A' ' 80' ' ' HEC . 4.6 mmm -55.75 -49.66 72.5 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 120.889 1.677 . . . . 0.0 109.287 177.341 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -59.97 -44.18 94.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.85 -49.3 54.99 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.739 1.162 . . . . 0.0 110.987 178.591 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -42.07 70.5 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.32 177.306 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.51 66.08 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.825 1.193 . . . . 0.0 110.7 178.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.19 -40.52 64.71 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.445 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 39.4 7.05 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 127.17 2.319 . . . . 0.0 110.845 178.789 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -94.87 -63.2 1.2 Allowed 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 174.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.67 125.59 22.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 172.852 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.82 -45.84 0.67 Allowed Glycine 0 C--N 1.334 0.424 0 CA-C-O 122.062 0.812 . . . . 0.0 111.222 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.76 -73.81 1.41 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 103.874 -3.691 . . . . 0.0 103.874 -170.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -76.95 113.99 15.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 163.247 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -41.67 -35.7 0.82 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -171.658 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.317 0.5 OUTLIER 63.36 47.08 4.1 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.807 1.289 . . . . 0.0 109.017 -178.833 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.58 -45.37 4.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 129.286 3.034 . . . . 0.0 113.655 -179.248 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.84 -49.8 76.27 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.197 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.27 -50.56 71.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.0 m -45.97 -59.77 2.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.048 0.939 . . . . 0.0 110.741 176.682 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -42.55 94.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.885 -0.579 . . . . 0.0 110.648 -177.88 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.19 -58.96 6.17 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.207 0.458 . . . . 0.0 110.653 -178.574 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.81 -36.35 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 122.616 0.366 . . . . 0.0 111.032 -178.403 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.88 -24.86 39.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.604 0.762 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.29 -21.65 64.77 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.783 0.719 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.86 138.54 33.88 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.319 1.048 . . . . 0.0 110.461 -178.435 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -83.01 171.23 14.04 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.821 0.849 . . . . 0.0 108.936 177.6 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.46 -47.86 56.78 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.255 -0.903 . . . . 0.0 112.797 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -54.06 -50.72 66.12 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.603 0.716 . . . . 0.0 110.52 179.147 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.56 -48.85 77.66 Favored 'General case' 0 N--CA 1.426 -1.663 0 C-N-CA 124.166 0.986 . . . . 0.0 110.438 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -55.36 -51.51 66.54 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.551 0.74 . . . . 0.0 110.018 179.155 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -56.37 -45.08 80.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.838 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.72 80.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.46 -47.07 80.39 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.19 -58.25 8.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.593 173.573 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.68 -42.6 45.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.484 0.713 . . . . 0.0 111.952 179.146 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -58.16 -61.44 2.56 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.3 mtm -57.77 -23.93 54.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.4 m -67.36 -17.95 64.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.704 -0.665 . . . . 0.0 112.783 176.337 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -134.58 61.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 -176.556 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.251 34.0 tp . . . . . 0 N--CA 1.428 -1.557 0 CA-C-O 115.563 -2.161 . . . . 0.0 105.313 -171.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.522 HMA1 ' SD ' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.43 90.63 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -175.344 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.92 -64.17 2.34 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.152 0.882 . . . . 0.0 115.208 170.785 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.77 -58.34 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.175 1.39 . . . . 0.0 112.602 -173.711 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.96 64.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.298 0.639 . . . . 0.0 112.096 -178.085 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.87 -52.91 31.1 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -47.24 -41.59 18.84 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 123.86 0.864 . . . . 0.0 112.833 -177.647 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -43.76 -37.59 2.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.255 0.622 . . . . 0.0 112.118 177.594 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -46.4 65.29 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.242 1.02 . . . . 0.0 110.887 178.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.31 -29.98 70.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.732 2.013 . . . . 0.0 110.741 -174.061 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -44.57 -37.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.246 0 C-N-CA 123.772 0.829 . . . . 0.0 109.773 173.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.36 3.36 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.472 1.034 . . . . 0.0 113.636 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 m -112.11 -35.35 5.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.109 0.954 . . . . 0.0 111.708 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -89.28 -27.78 20.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 -172.683 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 162.21 38.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -177.33 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.61 -56.54 14.68 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -85.93 33.38 0.6 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.315 1.046 . . . . 0.0 112.85 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.46 40.58 0.12 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 127.833 2.635 . . . . 0.0 115.658 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -99.53 -28.75 13.08 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -173.444 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -69.58 130.33 42.13 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 120.168 1.349 . . . . 0.0 108.824 -175.553 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.64 44.24 0.44 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.688 1.195 . . . . 0.0 112.783 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 24.59 -134.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.151 3.381 . . . . 0.0 115.82 179.23 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtp -70.28 69.32 0.37 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 74.05 0.81 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.72 0.676 . . . . 0.0 114.12 173.041 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m 79.02 68.53 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 124.452 1.101 . . . . 0.0 113.119 173.515 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.25 139.89 38.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 169.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -57.63 124.12 66.35 Favored Pre-proline 0 C--O 1.233 0.221 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 174.61 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.49 142.62 70.21 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 CA-C-N 120.041 1.05 . . . . 0.0 110.115 178.65 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.53 -41.82 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 109.483 -177.015 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -29.56 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.991 2.116 . . . . 0.0 111.799 -176.573 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.24 46.0 51.83 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 117.482 -1.732 . . . . 0.0 116.267 177.833 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.03 -51.05 65.26 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 120.807 2.303 . . . . 0.0 107.4 171.921 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.95 140.44 3.35 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 128.285 2.85 . . . . 0.0 110.552 170.43 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.23 -43.28 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.631 1.172 . . . . 0.0 113.796 -179.113 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.61 -52.56 63.9 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 123.68 0.792 . . . . 0.0 109.819 178.535 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -56.89 -63.97 1.03 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD23 HMA3 ' A' ' 80' ' ' HEC . 46.3 mt -47.78 -47.18 30.89 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.834 1.653 . . . . 0.0 111.33 -178.232 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -62.32 -51.75 66.43 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.295 0.952 . . . . 0.0 111.218 178.733 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -45.6 92.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.973 -177.564 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -69.11 -43.16 75.02 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 125.563 1.545 . . . . 0.0 110.917 -177.848 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.516 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.8 ppp? -67.14 -38.53 85.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.541 0.61 . . . . 0.0 109.546 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -61.2 -43.76 98.36 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 171.443 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.66 -40.83 48.93 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.616 1.579 . . . . 0.0 111.088 174.536 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -68.73 -44.96 72.74 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 124.002 0.921 . . . . 0.0 110.759 174.469 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.46 71.97 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.525 1.057 . . . . 0.0 109.942 175.5 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.44 5.73 14.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.44 1.096 . . . . 0.0 111.743 176.923 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.74 28.02 6.73 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 126.343 1.925 . . . . 0.0 113.789 -179.484 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.9 m -107.48 -41.65 5.01 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 117.745 0.773 . . . . 0.0 112.682 -173.823 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.01 75.74 0.92 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -173.597 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.51 -137.46 7.81 Favored Glycine 0 CA--C 1.525 0.687 0 O-C-N 120.981 -1.074 . . . . 0.0 110.501 177.701 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.18 171.59 33.39 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -11.63 -54.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.787 3.235 . . . . 0.0 116.874 -178.247 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -46.0 -29.68 1.54 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.655 1.182 . . . . 0.0 112.902 179.59 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -66.67 -12.16 57.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.37 -54.68 5.62 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -173.069 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -55.63 -56.87 15.26 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.091 0.948 . . . . 0.0 109.713 -178.498 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.3 ttp -53.91 -45.41 71.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.033 1.333 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.5 m -53.85 -55.43 26.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.061 0.944 . . . . 0.0 108.931 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -39.92 89.4 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.92 -59.74 4.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.064 0.393 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.26 -31.68 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 111.052 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -58.73 -22.85 58.66 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.62 0.646 . . . . 0.0 111.557 178.514 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -75.37 -17.07 60.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.98 0.809 . . . . 0.0 111.836 177.935 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.56 140.77 31.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.031 1.332 . . . . 0.0 110.982 -176.187 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -88.66 166.35 14.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.976 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -50.25 -39.73 45.69 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -176.275 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -56.32 -52.53 64.21 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.331 1.052 . . . . 0.0 109.37 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.79 -46.19 90.63 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.384 1.074 . . . . 0.0 109.144 178.551 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD22 ' SD ' ' A' ' 41' ' ' MET . 84.3 mt -53.23 -58.17 7.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.288 0.949 . . . . 0.0 109.863 179.149 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -55.86 -47.35 77.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.316 0.579 . . . . 0.0 109.685 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.38 70.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.07 -0.491 . . . . 0.0 112.272 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -48.63 63.48 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 -179.746 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.49 -52.13 60.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.363 0.415 . . . . 0.0 110.267 175.548 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.6 -50.35 63.22 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 119.333 -0.365 . . . . 0.0 111.092 177.053 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.82 -59.25 5.31 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.965 0.412 . . . . 0.0 110.794 -179.208 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.1 mtm -52.1 -33.23 38.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 125.619 1.568 . . . . 0.0 112.492 176.676 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -76.05 0.68 17.83 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.104 177.834 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -133.3 39.46 3.25 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -178.938 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.427 -1.607 0 C-N-CA 125.642 1.577 . . . . 0.0 107.733 -171.67 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.463 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.49 151.63 36.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.213 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -34.39 -37.78 0.09 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.848 2.166 . . . . 0.0 116.714 178.373 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.41 73.59 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 119.142 1.471 . . . . 0.0 111.314 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.95 69.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.53 -44.72 73.06 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.253 1.421 . . . . 0.0 110.748 -179.55 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 36.3 t80 -51.61 -35.18 40.66 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -175.198 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -47.35 -49.88 23.4 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.203 0.456 . . . . 0.0 111.277 -178.717 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -17.76 12.87 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.675 1.59 . . . . 0.0 114.623 -178.681 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 7' ' ' TYR . 2.1 m -91.87 -23.54 19.62 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.245 1.418 . . . . 0.0 111.456 -174.728 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.63 139.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 175.146 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.98 -44.18 1.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.215 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.82 -37.31 10.8 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 118.761 1.281 . . . . 0.0 108.874 176.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -110.11 -24.63 10.63 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.465 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.2 162.33 37.57 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.22 -4.7 14.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -124.75 19.59 8.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.548 1.939 . . . . 0.0 109.725 178.891 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.09 19.29 0.12 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 128.223 2.821 . . . . 0.0 115.77 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 p -97.33 -23.02 16.32 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -168.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -70.72 132.59 45.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 117.135 -1.826 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.62 103.69 2.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 175.35 0.38 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.241 0.616 . . . . 0.0 110.765 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mmm -30.84 128.79 0.13 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.421 1.888 . . . . 0.0 113.739 -176.548 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 55.32 31.32 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 123.669 0.652 . . . . 0.0 112.086 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 42.61 54.92 4.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.393 1.477 . . . . 0.0 112.801 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.57 57.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.986 -178.863 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.04 122.22 40.66 Favored Pre-proline 0 N--CA 1.44 -0.938 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 172.151 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.96 142.66 98.22 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.163 1.242 . . . . 0.0 108.999 -176.38 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.72 -52.6 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -176.619 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -21.09 86.97 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.978 2.911 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 47.68 3.35 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.061 1.315 . . . . 0.0 115.701 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.275 5.7 pt20 -58.95 -30.59 68.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.477 1.639 . . . . 0.0 110.512 176.837 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.46 134.33 1.63 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 127.383 2.42 . . . . 0.0 108.387 171.087 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.33 74.52 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.657 2.728 . . . . 0.0 110.565 -179.797 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.76 -54.96 27.09 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.712 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -47.67 -60.71 2.36 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.754 1.222 . . . . 0.0 109.501 177.305 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD23 HMA3 ' A' ' 80' ' ' HEC . 56.0 mt -53.61 -53.06 57.21 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.702 2.001 . . . . 0.0 110.445 -179.362 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -56.08 -54.48 44.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.332 0.514 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -59.25 -51.13 71.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.439 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -44.11 82.7 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.642 0.656 . . . . 0.0 111.108 -178.668 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -62.69 -40.13 96.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.817 0.735 . . . . 0.0 110.238 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -58.59 -55.77 30.82 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.86 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.0 -48.43 38.49 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.354 0.978 . . . . 0.0 111.448 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -59.41 -62.17 2.08 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.72 0.808 . . . . 0.0 109.814 178.197 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.08 68.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.796 0.726 . . . . 0.0 112.06 -178.027 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.54 -28.98 69.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.27 1.428 . . . . 0.0 111.439 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 30.74 16.28 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.656 -0.524 . . . . 0.0 111.833 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 p -108.86 -70.46 0.81 Allowed 'General case' 0 C--N 1.338 0.1 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.362 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -62.9 121.51 13.68 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.828 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.06 -176.66 47.19 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 165.08 29.03 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 106.77 -2.532 . . . . 0.0 106.77 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -6.3 -91.46 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.561 2.344 . . . . 0.0 115.489 -179.708 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -63.46 -38.82 92.6 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.23 -0.919 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -60.79 -17.97 52.48 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.119 0.968 . . . . 0.0 110.767 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.98 -32.97 22.74 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.797 -0.564 . . . . 0.0 110.991 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.2 -63.28 1.11 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 175.646 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 tpt -41.98 -44.78 3.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.806 2.442 . . . . 0.0 110.981 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -42.21 -46.0 4.29 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.162 1.385 . . . . 0.0 110.938 177.74 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -115.32 19.8 15.29 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 121.677 -0.639 . . . . 0.0 112.226 179.394 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.0 93.28 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 164.14 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.5 m -91.49 24.43 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.447 1.899 . . . . 0.0 111.928 176.214 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -10.82 81.82 0.0 OUTLIER 'General case' 0 C--N 1.346 0.419 0 C-N-CA 129.865 3.266 . . . . 0.0 114.472 175.336 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.7 42.78 3.05 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.325 -2.216 . . . . 0.0 112.683 176.791 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.33 141.12 6.86 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.636 1.175 . . . . 0.0 109.574 174.658 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t -78.49 162.55 26.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.163 0.585 . . . . 0.0 111.061 -175.243 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.21 -49.22 6.62 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -174.484 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.15 0.98 . . . . 0.0 110.163 179.15 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.35 -48.06 83.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.782 1.233 . . . . 0.0 109.225 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.19 -57.97 10.5 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.183 -177.816 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -54.98 -50.17 69.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.354 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.19 74.93 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 117.992 -1.004 . . . . 0.0 112.571 -179.552 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.8 -48.87 75.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 120.322 1.419 . . . . 0.0 107.458 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -55.61 28.9 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.645 0.202 . . . . 0.0 110.687 177.364 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -49.78 -51.7 37.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.112 0.565 . . . . 0.0 110.804 178.336 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -58.74 -50.95 72.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.287 0.635 . . . . 0.0 110.791 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtm -62.05 -19.67 63.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.844 0.858 . . . . 0.0 112.294 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 m -89.27 7.67 34.36 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.745 1.218 . . . . 0.0 112.179 173.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.67 48.03 1.74 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.576 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 -172.086 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.481 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 119.171 -0.442 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t0 49.45 60.04 4.06 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.803 2.041 . . . . 0.0 114.751 174.581 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.408 ' H ' HD12 ' A' ' 6' ' ' LEU . . . 71.67 -68.58 0.99 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.261 0.934 . . . . 0.0 114.548 173.474 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.66 -61.08 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.276 1.43 . . . . 0.0 111.399 -174.447 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 48.66 1.4 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.038 0.535 . . . . 0.0 110.192 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 3' ' ' GLY . 80.2 mt -147.54 -58.02 0.25 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.544 2.738 . . . . 0.0 105.746 175.218 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -45.26 -40.67 7.74 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.316 1.447 . . . . 0.0 112.651 -178.355 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -43.44 -35.38 1.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.12 0.968 . . . . 0.0 112.603 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.24 -46.69 48.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.63 0.772 . . . . 0.0 110.295 178.649 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -59.71 -35.21 74.05 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.962 1.705 . . . . 0.0 110.025 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -46.46 -34.13 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.566 0.746 . . . . 0.0 110.459 175.609 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.15 -36.66 7.36 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.502 0.572 . . . . 0.0 112.734 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.4 -38.08 5.57 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.924 0.89 . . . . 0.0 110.972 179.419 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.539 ' CE1' HG21 ' A' ' 29' ' ' VAL . 61.1 m-70 -81.9 -33.36 30.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -173.54 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.43 170.75 47.23 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.626 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.11 -72.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.425 0.69 . . . . 0.0 111.359 -177.144 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.62 36.02 0.69 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.04 0.936 . . . . 0.0 112.067 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.25 36.75 4.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.665 2.079 . . . . 0.0 114.539 179.112 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -113.49 -6.53 13.45 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.199 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -79.22 157.5 27.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 121.061 1.755 . . . . 0.0 110.52 -178.19 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 122.86 18.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.13 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.3 -129.38 0.09 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.444 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.7 mmt -72.62 73.05 1.05 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.586 -0.696 . . . . 0.0 110.0 177.132 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.93 -151.97 28.03 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 64.85 0.16 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.799 1.64 . . . . 0.0 112.505 -178.101 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 137.12 36.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.272 1.029 . . . . 0.0 109.17 178.252 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -56.84 124.11 62.44 Favored Pre-proline 0 C--O 1.233 0.228 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.062 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.46 143.35 88.01 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 N-CA-C 106.947 -1.982 . . . . 0.0 106.947 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 14' ' ' HIS . 3.3 t -103.3 33.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.966 1.306 . . . . 0.0 110.411 -171.565 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 57.28 1.87 Allowed 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 124.967 1.307 . . . . 0.0 108.831 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.2 74.46 0.85 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.906 1.241 . . . . 0.0 113.203 -178.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.72 -53.48 57.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 173.366 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.5 135.35 1.8 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 127.522 2.487 . . . . 0.0 108.349 172.758 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.9 -45.83 15.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.37 2.085 . . . . 0.0 113.494 -176.564 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -60.5 -53.94 51.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.251 0.62 . . . . 0.0 109.839 179.645 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -52.35 -58.64 6.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.419 1.488 . . . . 0.0 108.386 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.1 mt -49.48 -64.31 0.85 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 127.017 2.127 . . . . 0.0 109.702 179.36 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -40.82 -58.08 1.77 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.705 1.139 . . . . 0.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -53.16 -49.82 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.675 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -60.38 -56.67 18.65 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.914 179.017 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -41.83 75.45 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.564 1.529 . . . . 0.0 110.946 178.314 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.46 -52.34 64.93 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.422 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.56 -43.91 45.99 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.954 1.74 . . . . 0.0 111.795 178.238 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.76 -60.41 2.92 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.605 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -46.21 64.96 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.044 0.384 . . . . 0.0 111.972 -177.398 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -77.52 7.32 5.65 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.709 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.24 30.99 79.2 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.237 0.922 . . . . 0.0 114.69 175.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -103.02 -54.69 2.57 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 118.175 0.988 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -80.16 68.14 6.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.138 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.97 -172.45 41.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.54 0.42 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -133.5 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.391 1.077 . . . . 0.0 108.67 178.698 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -50.03 -31.99 14.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.169 0.895 . . . . 0.0 111.0 176.164 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -52.95 -26.24 14.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.182 1.793 . . . . 0.0 112.663 178.246 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.62 63.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.822 0.449 . . . . 0.0 110.428 174.373 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ttt -67.32 -49.15 65.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.694 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.7 mmm -50.93 -46.29 60.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.869 1.667 . . . . 0.0 109.97 178.557 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 m -47.33 -35.49 8.14 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.092 0.557 . . . . 0.0 111.512 175.805 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 62' ' ' LYS 0.354 0.7 OUTLIER -114.32 23.31 12.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.988 . . . . . . . . 4 4 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.71 -54.93 3.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 163.453 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.95 40.12 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.878 1.271 . . . . 0.0 108.588 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 44.6 tttp -17.37 -69.17 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 130.015 3.326 . . . . 0.0 117.262 -170.838 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 34.73 2.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.699 0.625 . . . . 0.0 109.922 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 126.15 16.96 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 p -92.47 167.59 11.86 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.68 0.792 . . . . 0.0 109.409 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.6 -53.96 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.691 1.196 . . . . 0.0 114.185 -176.185 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.73 -54.51 32.71 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.436 0.636 . . . . 0.0 109.955 178.693 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.44 -51.13 71.15 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.555 1.142 . . . . 0.0 109.652 -178.079 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -57.93 -56.7 18.53 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.165 1.386 . . . . 0.0 110.877 -177.765 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -44.09 96.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.868 0.467 . . . . 0.0 109.891 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.53 -33.93 73.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.227 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -66.87 -50.66 61.79 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 177.539 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.31 59.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 123.492 0.495 . . . . 0.0 110.041 175.546 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.02 -51.24 68.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.642 0.377 . . . . 0.0 110.657 178.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -53.43 -60.73 2.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.09 0.556 . . . . 0.0 110.188 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 mtm -59.27 -31.96 69.58 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.699 0.799 . . . . 0.0 112.821 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -74.4 3.25 7.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.332 175.067 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -140.74 50.19 1.67 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.671 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 C--O 1.253 1.265 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -172.253 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 116.83 -1.557 . . . . 0.0 108.069 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.89 151.29 34.42 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 120.365 1.439 . . . . 0.0 111.486 179.537 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 71' ' ' ALA . . . -20.18 -55.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 C-N-CA 128.943 3.163 . . . . 0.0 116.558 173.916 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.85 -42.26 26.04 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.14 0.576 . . . . 0.0 111.97 -177.83 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.47 89.86 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.188 0.595 . . . . 0.0 111.649 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.44 -47.18 64.85 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.072 0.949 . . . . 0.0 109.687 -179.249 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -47.06 -37.08 8.91 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.728 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -47.12 -28.25 1.71 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.779 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -88.22 -46.99 8.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 110.121 175.712 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m -55.19 -35.21 64.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.932 2.093 . . . . 0.0 111.293 -175.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.3 pt -54.45 -22.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.957 178.714 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.05 -34.24 11.61 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 118.85 0.75 . . . . 0.0 111.935 174.899 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 m -111.99 -42.54 3.75 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.72 0.76 . . . . 0.0 110.364 177.423 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -74.58 -22.55 58.92 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -174.964 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -70.8 2.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.582 1.087 . . . . 0.0 112.233 175.378 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.13 -77.99 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 117.097 0.448 . . . . 0.0 110.246 -178.336 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -59.97 -40.76 90.18 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 123.159 0.584 . . . . 0.0 111.831 -179.507 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.68 13.91 15.39 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.89 1.233 . . . . 0.0 111.221 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -67.64 -42.91 81.5 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.265 1.033 . . . . 0.0 109.733 177.002 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 41.42 -141.41 0.09 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.72 2.008 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 143.62 62.9 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 1 C-N-CA 132.768 4.427 . . . . 0.0 102.37 -175.227 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.21 -127.93 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.483 1.113 . . . . 0.0 111.22 -172.123 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.3 mmt -70.24 75.58 0.52 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.046 0.538 . . . . 0.0 110.563 -179.53 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -178.55 37.37 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.094 1.331 . . . . 0.0 110.522 -178.756 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -75.79 65.99 2.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.073 0.949 . . . . 0.0 109.037 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.39 149.86 42.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.461 1.104 . . . . 0.0 110.475 -178.992 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.25 118.87 30.65 Favored Pre-proline 0 N--CA 1.439 -0.986 0 C-N-CA 125.181 1.392 . . . . 0.0 109.44 177.852 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.98 135.19 62.87 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.647 2.231 . . . . 0.0 111.944 178.654 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -74.85 -39.23 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.81 0.844 . . . . 0.0 111.111 -179.142 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -31.86 94.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.122 1.769 . . . . 0.0 112.037 -176.571 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.0 2.39 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.428 1.966 . . . . 0.0 115.647 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -48.49 -58.43 4.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 123.115 1.436 . . . . 0.0 109.732 176.039 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.98 132.86 1.56 Allowed Glycine 0 C--O 1.219 -0.836 0 C-N-CA 127.872 2.653 . . . . 0.0 106.917 174.113 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.24 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 121.133 2.467 . . . . 0.0 112.432 -176.156 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -53.47 55.08 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.11 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -49.97 -61.11 2.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.056 1.342 . . . . 0.0 108.912 177.55 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 76' ' ' MET . 11.8 mt -49.23 -64.14 0.89 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.143 1.777 . . . . 0.0 109.144 179.313 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -40.17 -55.32 2.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 119.104 0.866 . . . . 0.0 111.518 178.987 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.37 -43.46 92.87 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 71.4 mmtt -64.64 -56.98 10.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.759 0.824 . . . . 0.0 111.258 178.961 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -39.27 75.71 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 119.929 1.24 . . . . 0.0 110.19 177.703 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -60.21 -54.77 41.86 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.456 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.05 -50.45 21.76 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 125.65 1.595 . . . . 0.0 110.596 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -59.47 -64.77 0.82 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.135 0.574 . . . . 0.0 109.671 177.015 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -46.25 43.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.226 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -75.11 -9.7 58.78 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.15 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.81 7.02 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 118.664 0.665 . . . . 0.0 113.346 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.5 p -120.21 -77.44 0.58 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.029 0.914 . . . . 0.0 109.436 175.935 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.417 ' CE2' ' HD2' ' A' ' 40' ' ' LYS . 56.6 t80 -59.12 123.26 16.03 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.25 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.21 -167.78 40.31 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.487 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.5 109.09 0.94 Allowed Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.215 1.388 . . . . 0.0 111.212 -175.888 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.2 -103.66 0.12 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.683 1.993 . . . . 0.0 112.181 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -58.15 -39.22 78.24 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.175 -0.953 . . . . 0.0 109.658 177.462 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -72.63 -31.36 65.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.884 1.274 . . . . 0.0 108.828 176.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.21 93.66 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.455 -0.778 . . . . 0.0 110.219 177.706 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.7 tpt -60.26 -53.79 53.43 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 174.507 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.54 -43.6 17.17 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 126.881 2.073 . . . . 0.0 110.781 179.293 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.7 m -38.82 -45.74 1.19 Allowed 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.188 1.395 . . . . 0.0 111.422 177.728 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -114.5 13.16 17.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.33 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 164.8 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.93 28.9 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.631 1.572 . . . . 0.0 111.207 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -14.16 83.64 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.418 3.487 . . . . 0.0 114.361 175.084 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 48.99 38.49 12.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 112.535 -2.121 . . . . 0.0 112.619 174.029 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.27 132.53 16.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 109.906 174.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.68 171.31 14.13 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.979 0.911 . . . . 0.0 111.592 -175.348 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -52.0 -50.69 60.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.278 -0.888 . . . . 0.0 113.019 -178.206 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -51.97 -51.99 53.44 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 124.142 0.977 . . . . 0.0 109.643 178.118 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.83 -60.4 3.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 113.697 -1.592 . . . . 0.0 108.746 179.881 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -52.9 -53.34 50.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.152 1.381 . . . . 0.0 112.318 -176.611 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.66 -51.54 69.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 -177.505 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' HB3' ' H ' ' A' ' 3' ' ' GLY . . . -66.82 -32.73 74.2 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.0 -179.381 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.623 HD21 ' CMB' ' A' ' 80' ' ' HEC . 15.6 tp -64.03 -52.46 59.36 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.566 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.46 69.65 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.255 0.222 . . . . 0.0 110.525 176.57 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.2 -47.39 72.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.918 -0.128 . . . . 0.0 110.762 177.629 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -58.61 -50.3 74.33 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.286 0.634 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.478 ' HB2' HD13 ' A' ' 37' ' ' LEU . 4.6 mmt -58.59 -33.53 70.08 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.95 -0.469 . . . . 0.0 111.203 178.641 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 m -78.93 10.18 3.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.846 1.258 . . . . 0.0 113.15 176.454 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -142.67 45.68 1.6 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 178.156 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 N--CA 1.435 -1.217 0 C-N-CA 126.455 1.902 . . . . 0.0 106.05 -175.185 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.635 HBB2 ' HHC' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 117.441 -1.266 . . . . 0.0 107.937 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.37 139.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.647 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -6.84 -63.66 0.01 OUTLIER Glycine 0 C--N 1.339 0.729 0 C-N-CA 129.803 3.573 . . . . 0.0 116.354 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.2 5.42 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.594 1.157 . . . . 0.0 111.446 -179.7 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.69 86.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.791 0.836 . . . . 0.0 111.515 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mp -66.07 -47.85 72.93 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -46.66 -39.7 11.82 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.019 0.928 . . . . 0.0 113.475 -175.868 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -47.25 -36.99 9.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.721 1.209 . . . . 0.0 111.882 178.364 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -66.52 -45.72 78.58 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.93 0.871 . . . . 0.0 110.375 178.581 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.29 -35.51 79.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.172 1.789 . . . . 0.0 110.055 -174.466 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -47.47 -37.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 123.271 0.628 . . . . 0.0 109.599 175.233 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.54 -30.82 6.56 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.808 -0.996 . . . . 0.0 113.423 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -113.88 -43.89 3.22 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.759 1.279 . . . . 0.0 110.002 -178.717 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -76.34 -22.17 55.25 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -176.049 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.32 172.55 49.13 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -173.858 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.64 -71.72 0.08 Allowed 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.557 . . . . 0.0 110.98 -177.715 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -86.91 60.45 6.23 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.953 0.901 . . . . 0.0 109.946 -178.593 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 4.65 70.69 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 1 C-N-CA 130.705 4.003 . . . . 0.0 115.679 179.129 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -139.06 -1.2 1.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.968 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.29 121.24 15.27 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.813 1.188 . . . . 0.0 110.546 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 66.49 2.49 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.136 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.592 ' CB ' HBC1 ' A' ' 80' ' ' HEC . . . -65.44 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.288 1.835 . . . . 0.0 111.879 -176.237 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.2 71.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.526 1.13 . . . . 0.0 108.251 179.148 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -172.57 55.12 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -178.026 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 m -71.04 63.02 0.31 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.003 1.321 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 134.43 54.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.353 0.661 . . . . 0.0 109.833 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -55.23 125.93 59.76 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 174.135 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -53.18 135.47 59.69 Favored 'Trans proline' 0 N--CA 1.444 -1.441 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 176.428 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.86 -41.29 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -178.364 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -29.31 93.52 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.941 2.496 . . . . 0.0 111.737 176.806 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 56.41 41.98 88.74 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 117.281 1.673 . . . . 0.0 117.281 176.317 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -54.59 -53.63 52.02 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 120.504 2.152 . . . . 0.0 108.187 172.552 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.12 136.52 2.17 Favored Glycine 0 C--O 1.222 -0.64 0 CA-C-N 112.108 -2.315 . . . . 0.0 109.892 174.419 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.77 -42.8 8.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.761 1.781 . . . . 0.0 113.04 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.89 -51.07 66.25 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 123.391 0.676 . . . . 0.0 110.328 179.119 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.1 -58.5 7.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.354 1.062 . . . . 0.0 108.621 178.651 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -55.12 -48.14 74.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.078 1.351 . . . . 0.0 110.8 -178.72 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.14 -51.64 69.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.391 0.541 . . . . 0.0 110.636 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.14 -51.29 69.72 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.684 0.278 . . . . 0.0 111.471 -177.455 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.02 -41.26 95.47 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.89 0.876 . . . . 0.0 110.833 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.486 ' SD ' HD13 ' A' ' 69' ' ' LEU 0.261 3.3 ppp? -67.79 -42.25 81.94 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 179.111 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -57.24 -39.98 76.65 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 170.051 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.43 -62.96 3.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 126.772 2.129 . . . . 0.0 109.358 174.074 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -59.97 -40.36 88.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.801 0.84 . . . . 0.0 110.463 178.74 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.29 81.03 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 123.145 0.578 . . . . 0.0 110.844 178.249 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.43 -45.31 55.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.462 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.56 -5.76 33.29 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.666 1.127 . . . . 0.0 112.175 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -70.66 -56.24 6.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.086 0.943 . . . . 0.0 109.468 178.864 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.14 107.93 0.82 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.559 179.512 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.64 -77.84 1.23 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-O 122.04 0.8 . . . . 0.0 111.842 178.076 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 -64.73 0.25 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.84 2.162 . . . . 0.0 115.295 175.823 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.55 -93.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.505 2.322 . . . . 0.0 114.214 -172.568 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -58.4 -24.3 59.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.908 -1.12 . . . . 0.0 112.159 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.49 -24.22 67.54 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.378 2.271 . . . . 0.0 110.262 177.492 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -10.57 -65.16 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 128.612 2.765 . . . . 0.0 116.483 -178.859 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ptp -49.05 -53.24 21.14 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.866 0.841 . . . . 0.0 110.91 179.458 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.0 ttp -64.14 -52.48 58.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.496 1.518 . . . . 0.0 108.131 177.351 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -45.14 -57.28 4.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.817 0.847 . . . . 0.0 110.619 -178.836 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -46.54 89.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 110.335 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.23 13.21 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 117.985 0.357 . . . . 0.0 110.721 -178.447 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.53 -33.83 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 O-C-N 121.879 -0.513 . . . . 0.0 111.533 -179.138 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.06 -25.7 59.1 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.316 0.962 . . . . 0.0 111.185 178.582 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.43 -11.48 59.95 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.76 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.47 171.55 9.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.433 1.093 . . . . 0.0 110.291 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.0 p -120.98 167.65 12.35 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.254 1.022 . . . . 0.0 110.81 -178.122 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -45.49 -47.66 14.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -176.033 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.16 -50.23 73.47 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.581 0.752 . . . . 0.0 110.777 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.87 -47.69 82.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.115 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD13 ' SD ' ' A' ' 41' ' ' MET . 0.8 OUTLIER -55.71 -58.65 6.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.275 0.63 . . . . 0.0 111.11 -177.454 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -52.64 -46.73 67.23 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.504 0.721 . . . . 0.0 109.203 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.02 79.51 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -49.27 64.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 105.763 -1.939 . . . . 0.0 105.763 -178.741 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.31 -50.06 65.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.802 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.11 -52.14 59.63 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 117.945 0.339 . . . . 0.0 110.698 177.78 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -54.01 -59.99 3.92 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.034 0.445 . . . . 0.0 110.204 178.791 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.8 mtm -56.38 -25.96 51.41 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.64 1.176 . . . . 0.0 113.292 179.45 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -76.41 -6.12 50.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.263 176.702 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -133.76 52.08 2.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -178.261 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 -171.46 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.592 HBC1 ' CB ' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.9 152.58 7.21 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.898 0.879 . . . . 0.0 110.284 178.883 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.91 -65.47 3.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -178.429 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.271 1.028 . . . . 0.0 112.441 -177.248 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.73 79.06 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.213 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.33 -50.89 68.46 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -179.133 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -47.53 -36.46 10.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.601 0.761 . . . . 0.0 112.931 -178.963 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -57.61 -15.4 7.37 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -178.754 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -87.61 -31.12 19.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.502 1.046 . . . . 0.0 110.986 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.3 m -71.84 -28.67 63.72 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.49 1.516 . . . . 0.0 111.955 -173.056 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 pt -47.9 -31.94 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.865 0.866 . . . . 0.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.11 -34.24 5.86 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.099 0.857 . . . . 0.0 112.297 177.744 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -114.23 -40.33 3.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.487 0.715 . . . . 0.0 110.24 177.074 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.402 ' CE1' HG21 ' A' ' 29' ' ' VAL . 90.2 m-70 -78.77 -5.11 52.43 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -174.856 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.19 -152.12 47.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 178.733 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.16 -0.17 39.08 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.06 -85.61 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.185 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.61 41.5 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -102.99 17.34 24.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.822 1.649 . . . . 0.0 110.179 177.926 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 175.75 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.075 1.879 . . . . 0.0 116.075 -175.875 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.99 73.44 1.42 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 170.705 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.55 -142.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.782 1.233 . . . . 0.0 111.966 -172.707 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.8 mtt -67.32 83.3 0.15 Allowed 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.583 -0.698 . . . . 0.0 110.671 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.16 172.01 48.16 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.506 1.05 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.41 109.42 0.3 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.602 1.161 . . . . 0.0 109.708 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.21 51.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.206 1.002 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.52 111.16 2.63 Favored Pre-proline 0 N--CA 1.436 -1.136 0 C-N-CA 125.814 1.646 . . . . 0.0 108.092 175.387 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -61.55 103.73 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.661 1.574 . . . . 0.0 108.913 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.402 HG21 ' CE1' ' A' ' 14' ' ' HIS . 2.3 t -37.02 -44.6 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 126.178 1.791 . . . . 0.0 113.24 -177.333 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 106.19 0.21 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.793 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.19 -38.14 2.38 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.556 -1.136 . . . . 0.0 114.065 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.261 8.0 pm0 -75.78 156.41 34.57 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.857 1.828 . . . . 0.0 109.377 178.885 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.22 159.17 15.69 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -168.529 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.57 2.22 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 127.352 2.261 . . . . 0.0 112.781 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -56.62 -43.46 80.24 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.489 1.515 . . . . 0.0 111.238 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -79.74 -52.29 8.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD22 HMA3 ' A' ' 80' ' ' HEC . 51.7 mt -50.61 -62.35 1.65 Allowed 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 125.381 1.472 . . . . 0.0 110.576 -178.947 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -44.13 -53.59 6.31 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 124.477 1.111 . . . . 0.0 112.374 -179.555 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -57.27 -44.8 84.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.351 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.79 -50.53 62.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.248 -0.882 . . . . 0.0 112.948 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.528 ' HE3' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -59.46 -37.58 78.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.696 1.589 . . . . 0.0 109.95 175.261 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.29 -46.94 88.24 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.184 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.96 -49.68 65.57 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.945 1.259 . . . . 0.0 111.506 178.217 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -58.11 -57.96 10.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.116 0.966 . . . . 0.0 108.399 177.025 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.2 -43.98 67.6 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.901 -0.499 . . . . 0.0 111.787 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.3 -34.4 78.04 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.427 1.091 . . . . 0.0 110.661 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.4 24.82 20.55 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.116 0.865 . . . . 0.0 111.5 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -98.1 -67.92 0.82 Allowed 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.997 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.59 74.18 1.06 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.19 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.57 -175.95 27.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -177.943 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 173.09 39.64 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.77 -51.02 23.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.812 0.845 . . . . 0.0 112.373 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -60.47 -22.84 63.95 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.677 0.791 . . . . 0.0 112.651 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -95.37 -21.97 18.03 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.489 1.116 . . . . 0.0 111.486 -177.878 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -30.76 -56.47 0.21 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -175.584 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.9 mmm -55.04 -55.36 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 110.497 -179.24 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -57.86 -44.53 86.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.538 0.735 . . . . 0.0 109.635 177.793 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -52.15 -52.34 52.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.151 0.98 . . . . 0.0 108.721 -179.346 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.94 95.73 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.221 -0.299 . . . . 0.0 110.622 178.062 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.53 65.34 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.096 0.407 . . . . 0.0 110.311 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.1 m -71.87 -27.58 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.668 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -33.76 53.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.723 1.147 . . . . 0.0 110.383 175.94 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -68.39 -20.83 64.71 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.2 122.63 34.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.196 1.398 . . . . 0.0 109.948 -178.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -170.12 2.64 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.347 0.659 . . . . 0.0 109.808 177.474 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.24 -53.65 50.72 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.43 -47.8 75.43 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 122.238 1.018 . . . . 0.0 110.596 -177.637 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -56.64 -55.16 37.53 Favored 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 125.827 1.651 . . . . 0.0 109.453 178.498 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.71 -47.73 76.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.419 0.688 . . . . 0.0 111.063 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.01 -49.52 73.44 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.46 78.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.64 -50.56 68.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.45 68.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.221 175.095 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -53.82 -51.7 62.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.83 0.452 . . . . 0.0 111.117 -179.335 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -52.91 -61.78 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.31 0.576 . . . . 0.0 110.57 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.1 mtm -62.72 -30.27 71.29 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.763 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -61.2 -6.87 2.31 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.351 0.978 . . . . 0.0 113.218 177.278 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.48 -11.65 58.34 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.56 1.073 . . . . 0.0 110.63 177.227 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 125.963 1.705 . . . . 0.0 109.983 -178.101 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.528 HMA1 ' HE3' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.19 45.35 0.16 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.349 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.79 -48.43 1.3 Allowed Glycine 0 CA--C 1.533 1.164 0 CA-C-N 119.437 1.017 . . . . 0.0 115.062 176.518 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.45 -45.82 6.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.49 1.516 . . . . 0.0 113.39 -176.469 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.36 64.64 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 110.681 178.62 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.62 -39.81 95.31 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.555 1.542 . . . . 0.0 110.122 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.93 -22.78 6.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.333 1.053 . . . . 0.0 113.16 -179.317 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -56.23 -32.67 64.66 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.422 -0.799 . . . . 0.0 110.745 175.052 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -95.81 37.62 1.21 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.866 0.866 . . . . 0.0 110.191 176.728 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -142.33 -46.06 0.33 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 126.036 1.735 . . . . 0.0 110.042 -174.724 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -52.33 139.36 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 171.435 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.49 -44.66 1.46 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.206 -1.957 . . . . 0.0 108.206 -173.199 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.7 -45.22 6.77 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.678 1.239 . . . . 0.0 107.873 175.815 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.31 -32.44 14.3 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.169 0.587 . . . . 0.0 111.823 -179.708 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.41 172.77 45.82 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.706 0.669 . . . . 0.0 111.994 178.137 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.92 -47.92 8.46 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.407 1.483 . . . . 0.0 112.185 -178.091 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.73 -98.98 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 174.739 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.11 56.44 0.05 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 176.334 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -152.88 1.9 0.3 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.053 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -73.47 167.76 20.63 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.869 1.668 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.56 124.35 22.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.275 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.25 -133.35 0.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.428 ' HG2' ' HHD' ' A' ' 80' ' ' HEC . 1.4 ptm -77.0 63.3 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.811 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.92 -169.89 24.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 -173.583 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 134.47 43.22 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.972 0.909 . . . . 0.0 110.861 179.382 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.88 141.3 17.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.029 0.532 . . . . 0.0 110.114 -179.073 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.78 136.27 86.85 Favored Pre-proline 0 N--CA 1.437 -1.083 0 C-N-CA 125.365 1.466 . . . . 0.0 107.864 172.497 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.27 138.08 35.4 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 108.185 -1.506 . . . . 0.0 108.185 177.345 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -36.25 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 C-N-CA 122.44 0.296 . . . . 0.0 110.532 -179.593 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -37.69 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.29 1.836 . . . . 0.0 112.277 -177.235 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.02 42.14 99.71 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 117.253 -1.859 . . . . 0.0 115.644 177.83 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.11 -64.99 0.72 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 121.45 2.625 . . . . 0.0 108.008 174.633 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.04 129.79 1.13 Allowed Glycine 0 CA--C 1.523 0.577 0 CA-C-N 112.888 -1.96 . . . . 0.0 108.971 173.646 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.2 -41.53 3.83 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.773 1.787 . . . . 0.0 112.886 -178.532 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.37 -55.23 37.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.06 0.544 . . . . 0.0 110.451 176.698 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.96 -58.66 7.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.077 1.351 . . . . 0.0 108.281 -179.376 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 HMA3 ' A' ' 80' ' ' HEC . 38.0 mt -52.96 -46.33 68.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.099 1.36 . . . . 0.0 111.07 -178.764 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -60.94 -51.24 70.12 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 118.71 0.687 . . . . 0.0 110.952 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -60.22 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.939 -179.347 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.1 -51.45 69.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.094 0.958 . . . . 0.0 111.066 179.466 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -63.97 -42.19 97.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.476 0.71 . . . . 0.0 110.579 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.55 -42.28 98.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.669 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.47 -48.46 75.99 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 177.369 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.4 -53.04 62.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 123.559 0.744 . . . . 0.0 109.063 176.591 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.45 -46.58 66.5 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.397 0.679 . . . . 0.0 111.848 178.734 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.72 -39.14 90.85 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.097 0.559 . . . . 0.0 110.194 178.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 -8.62 45.86 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.759 1.171 . . . . 0.0 111.366 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -62.62 -63.69 1.14 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.568 1.147 . . . . 0.0 108.303 179.045 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.14 66.28 3.71 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 175.202 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.85 -118.06 0.44 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -177.84 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.43 -52.2 2.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.26 0.933 . . . . 0.0 114.478 176.505 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.41 -145.04 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.168 0.987 . . . . 0.0 110.657 -178.22 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -41.98 -39.95 2.05 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.423 1.489 . . . . 0.0 111.21 177.53 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -41.3 -33.14 0.35 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 128.661 2.785 . . . . 0.0 113.216 176.767 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.16 -47.33 0.28 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.889 1.676 . . . . 0.0 114.554 -179.046 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.9 mmt -58.37 -54.31 48.41 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.627 0.727 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.1 ttp -58.07 -50.73 72.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.319 1.048 . . . . 0.0 108.624 178.185 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -45.45 -58.27 3.48 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.036 0.934 . . . . 0.0 109.559 177.394 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -41.08 92.7 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.017 -178.947 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.69 7.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.387 0.539 . . . . 0.0 110.533 -179.088 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.4 m -64.89 -30.51 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.991 -0.443 . . . . 0.0 111.379 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -55.71 -25.31 39.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.585 0.629 . . . . 0.0 111.709 178.403 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -70.23 -19.22 63.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.536 0.607 . . . . 0.0 111.963 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.93 39.4 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.488 1.115 . . . . 0.0 111.522 -177.643 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -78.11 167.92 20.68 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 110.043 178.502 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.64 -49.19 48.18 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.012 -1.055 . . . . 0.0 112.679 -179.396 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.44 -49.66 66.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.545 0.738 . . . . 0.0 110.268 178.421 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.99 -51.09 68.19 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.743 -179.067 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -51.29 -55.36 18.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.575 1.15 . . . . 0.0 109.454 178.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -49.53 73.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.372 0.606 . . . . 0.0 109.977 178.409 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.72 71.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.702 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -73.25 -39.36 65.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -178.848 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.18 70.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.285 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -52.9 -51.9 59.58 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.09 -57.76 8.59 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.613 0.765 . . . . 0.0 110.344 178.13 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.17 -29.21 65.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.64 0.376 . . . . 0.0 111.76 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -75.83 -3.63 36.19 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.577 177.659 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -142.0 57.74 1.48 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 -178.063 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 N--CA 1.434 -1.273 0 C-N-CA 126.426 1.891 . . . . 0.0 108.059 -172.458 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 80' ' ' HEC . . . . . 0.588 HMB1 ' CBB' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.866 0 N-CA-C 115.685 1.034 . . . . 0.0 115.685 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.38 -46.37 13.15 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.657 0.783 . . . . 0.0 112.107 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.778 0.431 . . . . 0.0 111.289 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.55 -44.05 79.2 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -50.66 -40.68 54.09 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -44.04 -40.63 4.94 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -73.47 -42.91 61.32 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.247 1.022 . . . . 0.0 111.091 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.91 -32.77 61.46 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 129.016 2.926 . . . . 0.0 111.241 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -45.15 -37.62 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.026 0.931 . . . . 0.0 109.794 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.0 -36.44 27.5 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 119.247 -0.752 . . . . 0.0 113.384 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.14 -23.71 10.28 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.51 1.155 . . . . 0.0 112.842 -176.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -107.41 -21.11 13.04 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 -174.12 55.29 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.37 -72.98 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.238 -0.566 . . . . 0.0 110.35 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.74 51.31 1.86 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.757 1.223 . . . . 0.0 110.153 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 22.39 60.29 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.605 3.003 . . . . 0.0 116.218 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -141.06 -4.57 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -68.75 158.89 33.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 121.266 1.848 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.55 122.56 16.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.4 -139.38 0.08 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 mtt -73.74 72.12 1.49 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.39 -165.25 29.9 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -65.27 116.09 6.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.054 0.942 . . . . 0.0 109.344 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.39 149.76 48.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.88 0.872 . . . . 0.0 108.781 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.13 133.59 92.77 Favored Pre-proline 0 N--CA 1.433 -1.321 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.23 142.25 41.14 Favored 'Trans proline' 0 N--CA 1.445 -1.349 0 N-CA-C 108.998 -1.193 . . . . 0.0 108.998 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -70.57 -36.92 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.993 1.317 . . . . 0.0 108.99 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -20.08 92.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.07 2.548 . . . . 0.0 112.418 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.93 48.68 3.38 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 126.72 2.105 . . . . 0.0 115.419 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -53.68 -54.52 36.67 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.031 1.916 . . . . 0.0 108.357 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.82 143.19 3.63 Favored Glycine 0 C--O 1.223 -0.576 0 C-N-CA 127.71 2.576 . . . . 0.0 109.946 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.24 -41.23 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.988 1.315 . . . . 0.0 111.847 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.02 -55.56 32.53 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.081 0.553 . . . . 0.0 110.252 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.98 -59.77 4.57 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 125.622 1.569 . . . . 0.0 109.15 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.6 mt -54.68 -45.75 73.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.742 1.217 . . . . 0.0 110.57 -178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.11 -53.38 59.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.641 0.655 . . . . 0.0 110.363 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.91 -47.02 86.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.742 0.246 . . . . 0.0 111.541 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -65.71 -49.47 68.37 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.937 -0.477 . . . . 0.0 111.268 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.44 -40.34 96.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.44 0.564 . . . . 0.0 110.012 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.45 -48.86 79.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.13 -50.9 32.36 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 125.375 1.464 . . . . 0.0 110.285 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.38 -58.68 6.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.885 0.874 . . . . 0.0 110.19 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.18 -45.96 61.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.682 0.674 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.27 -35.79 71.48 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.716 0.806 . . . . 0.0 111.122 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.2 14.64 35.32 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.573 1.082 . . . . 0.0 111.628 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -40.13 42.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.965 0.906 . . . . 0.0 108.77 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -106.22 136.49 45.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.83 -169.84 41.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.18 173.63 33.98 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 107.27 -2.332 . . . . 0.0 107.27 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -40.57 -69.08 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.797 1.239 . . . . 0.0 112.841 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -60.44 -25.03 65.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.13 -21.92 60.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.709 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.65 4.25 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.5 ttt -57.38 -54.27 48.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.336 0.588 . . . . 0.0 110.013 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 ttp -54.73 -45.64 74.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.588 0.755 . . . . 0.0 110.144 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -57.61 6.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.836 1.254 . . . . 0.0 108.797 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -36.03 82.13 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.763 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.7 64.39 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.981 0.809 . . . . 0.0 110.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.77 -29.46 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.516 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -47.37 -32.03 4.52 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.972 0.909 . . . . 0.0 112.461 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -57.56 -34.16 68.88 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 123.22 0.608 . . . . 0.0 111.527 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 123.3 18.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.142 0.977 . . . . 0.0 110.636 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.93 -69.57 0.51 Allowed 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -157.67 -55.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.888 0.475 . . . . 0.0 110.502 -176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -54.21 -49.56 69.13 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -53.71 -53.14 56.35 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 127.92 2.488 . . . . 0.0 109.88 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.93 -55.16 33.72 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.585 0.629 . . . . 0.0 110.446 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.15 -51.92 67.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.595 0.712 . . . . 0.0 110.772 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.47 73.99 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.232 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.34 -45.52 79.94 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -52.72 64.39 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.435 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -52.29 -51.43 58.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.213 0.205 . . . . 0.0 111.181 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.52 -57.35 12.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.133 0.973 . . . . 0.0 109.996 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 mtm -57.22 -29.7 63.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.953 0.501 . . . . 0.0 111.672 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -70.89 -3.85 21.33 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 117.814 -1.088 . . . . 0.0 113.096 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.29 45.48 2.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 N--CA 1.426 -1.629 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.081 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.538 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.94 -48.06 32.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.877 1.271 . . . . 0.0 112.063 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -48.01 63.27 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.427 0.691 . . . . 0.0 111.506 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.28 -41.37 70.1 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 124.029 0.932 . . . . 0.0 109.77 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.04 -30.6 11.11 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.163 1.385 . . . . 0.0 112.441 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -46.8 -26.34 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.928 0.891 . . . . 0.0 112.371 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -84.47 -25.3 29.0 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.901 1.281 . . . . 0.0 112.386 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.96 -35.41 14.72 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 111.056 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 pt -52.98 142.3 5.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -46.56 1.15 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.92 -53.69 4.48 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.361 1.58 . . . . 0.0 107.935 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.07 -14.43 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.84 163.21 13.41 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.752 0.692 . . . . 0.0 111.979 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.89 62.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.575 1.15 . . . . 0.0 112.439 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -83.4 -3.67 57.76 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.095 0.958 . . . . 0.0 112.92 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.32 58.15 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.238 -0.757 . . . . 0.0 113.808 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -95.91 -17.57 20.96 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -78.7 45.4 0.59 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.656 1.571 . . . . 0.0 113.205 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.62 -113.04 0.75 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.49 -159.32 0.62 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 128.385 2.674 . . . . 0.0 104.803 170.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -81.44 65.24 6.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.617 1.099 . . . . 0.0 108.779 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.85 170.06 18.1 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.8 m -71.98 65.4 0.55 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.069 0.948 . . . . 0.0 111.3 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.92 154.62 17.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.792 1.237 . . . . 0.0 109.588 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.26 115.16 12.08 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 144.34 97.25 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 CA-C-N 119.93 1.011 . . . . 0.0 109.639 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -51.4 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 tptp 39.12 -96.91 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.822 1.649 . . . . 0.0 108.796 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.02 59.14 0.44 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -41.35 -53.91 3.17 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.072 1.415 . . . . 0.0 109.823 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.07 132.45 1.34 Allowed Glycine 0 CA--C 1.524 0.655 0 CA-C-N 112.19 -2.277 . . . . 0.0 108.888 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -44.81 9.84 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 119.767 1.783 . . . . 0.0 113.438 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.47 -48.91 77.53 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 118.786 0.721 . . . . 0.0 110.0 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -60.16 3.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.108 1.763 . . . . 0.0 108.809 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.23 -46.73 82.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.549 1.54 . . . . 0.0 110.418 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.87 -52.21 66.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.38 -50.69 72.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -60.51 -50.75 72.33 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.794 0.838 . . . . 0.0 111.367 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -63.71 -40.16 96.09 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.026 -0.421 . . . . 0.0 110.052 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -59.96 -44.5 94.4 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.79 -53.33 22.25 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 125.937 1.732 . . . . 0.0 109.559 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.88 -49.45 76.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.884 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.07 61.49 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.146 0.578 . . . . 0.0 111.784 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.96 -38.46 86.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.424 0.69 . . . . 0.0 110.813 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.88 2.33 36.61 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.536 1.065 . . . . 0.0 111.384 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.95 89.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.218 1.009 . . . . 0.0 109.077 176.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -106.74 142.3 36.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -161.81 35.58 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 119.153 0.888 . . . . 0.0 111.442 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.32 -169.6 38.46 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 106.447 -2.661 . . . . 0.0 106.447 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.4 -76.59 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.986 0.893 . . . . 0.0 111.455 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -53.0 -38.54 62.4 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.368 0.604 . . . . 0.0 111.535 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -50.42 -31.27 14.53 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.954 1.301 . . . . 0.0 111.21 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.54 -41.03 6.14 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.07 -52.04 65.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.519 0.676 . . . . 0.0 109.994 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.406 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.0 ttp -57.27 -50.56 72.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.607 1.163 . . . . 0.0 108.63 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -48.73 -55.61 10.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.777 1.231 . . . . 0.0 109.747 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -43.38 90.61 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.331 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.42 -59.66 5.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.201 0.455 . . . . 0.0 110.865 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 57' ' ' MET . 21.3 m -62.58 -30.16 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.617 -0.677 . . . . 0.0 111.877 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.98 -25.82 58.93 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.13 0.877 . . . . 0.0 111.237 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -19.29 62.76 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.666 0.666 . . . . 0.0 111.832 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.08 132.74 35.38 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.85 1.26 . . . . 0.0 111.469 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -79.63 167.89 20.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -46.11 -45.17 16.23 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -57.33 -48.74 78.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 C-N-CA 124.621 1.168 . . . . 0.0 110.255 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.91 -45.66 81.14 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.255 1.822 . . . . 0.0 110.479 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.5 -52.99 51.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -60.83 -41.67 96.23 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.811 -0.556 . . . . 0.0 110.297 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.42 75.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -52.9 63.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 119.216 0.916 . . . . 0.0 108.738 177.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.07 74.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.656 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.15 -53.92 46.72 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.134 0.574 . . . . 0.0 111.45 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.16 -59.92 3.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.6 mtm -57.53 -46.65 83.61 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.453 1.101 . . . . 0.0 111.537 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -73.93 30.73 0.08 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 120.03 -1.669 . . . . 0.0 113.205 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -153.64 34.66 0.45 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.433 -1.316 0 C-N-CA 126.616 1.966 . . . . 0.0 107.51 -174.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.919 0 CA-C-O 120.012 -0.326 . . . . 0.0 113.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -37.7 -55.22 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 113.545 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.02 -37.32 52.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.408 1.083 . . . . 0.0 112.05 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.69 -52.88 6.71 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 108.397 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.57 -43.09 7.83 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 125.661 1.584 . . . . 0.0 112.947 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -47.05 -30.27 2.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -46.18 37.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.807 0.813 . . . . 0.0 110.233 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -58.56 -31.29 67.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.1 1.76 . . . . 0.0 109.984 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.7 mt -43.75 -37.3 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.278 0 C-N-CA 124.429 1.092 . . . . 0.0 110.949 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.05 -38.79 6.24 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.342 0.496 . . . . 0.0 112.519 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.0 m -106.89 -36.98 6.49 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -87.05 -16.61 35.12 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.5 174.64 46.46 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.394 -1.883 . . . . 0.0 108.394 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 46.13 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.186 -1.185 . . . . 0.0 112.477 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 179.93 -47.13 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.062 1.345 . . . . 0.0 112.356 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.35 53.54 0.21 Allowed Glycine 0 C--N 1.335 0.479 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.0 p -110.88 -57.7 2.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.173 1.389 . . . . 0.0 114.139 -172.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -66.71 31.66 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -167.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.57 21.93 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.569 2.348 . . . . 0.0 117.261 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 33.88 -123.67 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.0 1.72 . . . . 0.0 113.269 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.37 79.68 0.25 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.544 0.688 . . . . 0.0 111.825 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.08 -55.53 3.14 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.814 1.197 . . . . 0.0 115.669 171.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -151.13 46.3 0.83 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 118.997 1.398 . . . . 0.0 113.541 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.83 141.54 49.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.779 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -60.81 130.46 90.79 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.28 140.13 62.68 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 121.045 1.163 . . . . 0.0 111.456 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -82.7 -32.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.567 1.147 . . . . 0.0 110.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -37.95 99.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.758 1.623 . . . . 0.0 111.66 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.74 44.43 60.56 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 117.537 -1.702 . . . . 0.0 115.585 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.06 -57.37 10.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 121.103 2.451 . . . . 0.0 110.325 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.44 150.68 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 127.148 2.308 . . . . 0.0 109.376 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.87 88.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.677 1.738 . . . . 0.0 111.176 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -59.69 -58.06 10.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.38 -62.31 1.56 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 126.618 1.967 . . . . 0.0 109.319 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 34.9 mt -53.11 -62.21 1.8 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.714 0.806 . . . . 0.0 109.62 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.04 -51.97 12.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 119.616 1.098 . . . . 0.0 112.042 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -57.0 -46.89 81.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.678 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -61.25 -56.23 22.96 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.131 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -44.16 70.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 120.518 1.508 . . . . 0.0 110.576 178.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -61.26 -46.78 88.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.279 0.491 . . . . 0.0 110.687 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.8 -49.76 64.55 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.278 0.942 . . . . 0.0 111.122 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -60.82 -53.91 51.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.485 0.714 . . . . 0.0 109.63 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.77 72.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.964 0.506 . . . . 0.0 111.32 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.95 -36.73 85.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.948 0.899 . . . . 0.0 110.249 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.82 18.17 28.27 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.407 1.003 . . . . 0.0 111.735 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -89.4 -63.52 1.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -76.77 67.37 2.83 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.343 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.52 -145.18 5.81 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.267 0.937 . . . . 0.0 110.795 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.85 -145.91 13.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -87.79 0.05 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.326 1.05 . . . . 0.0 111.899 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -51.65 -32.79 30.81 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 119.645 1.112 . . . . 0.0 110.943 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -46.48 -25.83 0.75 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.141 2.576 . . . . 0.0 112.762 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.38 -40.67 50.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.817 -0.552 . . . . 0.0 110.731 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.9 -52.77 63.99 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.2 mmm -52.87 -52.0 59.03 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.107 1.363 . . . . 0.0 110.151 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 m -48.54 -57.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.437 1.495 . . . . 0.0 108.961 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -41.5 93.77 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -54.78 43.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.876 0.307 . . . . 0.0 110.479 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.24 -33.46 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.446 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -29.79 39.31 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.945 0.793 . . . . 0.0 111.579 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -68.17 -19.98 64.84 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.2 27.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.071 1.348 . . . . 0.0 110.549 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -89.7 171.91 9.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.536 1.134 . . . . 0.0 109.825 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -50.28 -47.68 55.33 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.249 -0.907 . . . . 0.0 112.641 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.45 -54.7 24.26 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-O 122.037 0.922 . . . . 0.0 109.872 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.51 -47.48 85.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.728 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -57.29 -48.48 78.8 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.726 1.21 . . . . 0.0 109.723 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -58.19 -47.74 82.49 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.15 86.35 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.0 -50.6 71.41 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.18 -57.24 11.16 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.222 0.326 . . . . 0.0 110.796 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.55 -47.48 63.4 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.676 0.39 . . . . 0.0 111.378 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.57 -57.8 11.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.372 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.3 mtm -59.4 -26.99 65.61 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.857 0.863 . . . . 0.0 112.952 -178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -66.01 -19.97 66.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.623 0.647 . . . . 0.0 112.565 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -118.04 48.49 1.39 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 19.0 tp . . . . . 0 N--CA 1.43 -1.426 0 CA-C-O 116.375 -1.774 . . . . 0.0 108.939 -170.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.747 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.32 -51.4 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.43 1.492 . . . . 0.0 112.392 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.1 89.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.885 0.474 . . . . 0.0 112.252 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.45 -49.77 51.82 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 123.535 0.734 . . . . 0.0 109.666 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -46.25 -38.99 9.23 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -44.43 -37.3 3.33 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 111.922 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.75 34.35 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.024 0.916 . . . . 0.0 110.218 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -57.27 -38.3 73.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.15 2.18 . . . . 0.0 110.467 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -47.16 -34.49 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.058 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.3 -36.72 10.85 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.256 0.455 . . . . 0.0 112.4 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.19 -38.4 6.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.564 0.746 . . . . 0.0 110.831 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -79.51 -21.68 44.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.65 46.7 73.77 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.266 0.936 . . . . 0.0 114.49 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.67 -70.19 0.08 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.252 1.421 . . . . 0.0 112.324 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.36 31.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.264 1.026 . . . . 0.0 112.303 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 29.2 47.24 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.601 2.525 . . . . 0.0 116.169 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -135.78 -18.7 1.62 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.91 150.54 47.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.78 1.173 . . . . 0.0 109.729 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 125.92 25.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.31 -131.11 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.29 69.7 1.61 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.01 30.48 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 p -66.11 111.86 3.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.32 1.048 . . . . 0.0 109.498 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.39 130.24 47.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.864 1.265 . . . . 0.0 108.62 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 110.04 1.09 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.604 1.561 . . . . 0.0 109.389 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.68 113.77 1.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.12 2.547 . . . . 0.0 114.678 -175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -45.8 -43.35 4.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 125.335 1.454 . . . . 0.0 110.654 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -29.88 87.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.29 2.636 . . . . 0.0 111.353 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.11 52.84 9.71 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.952 1.263 . . . . 0.0 115.895 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -53.29 -50.57 64.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 123.631 1.682 . . . . 0.0 108.041 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.46 153.16 6.02 Favored Glycine 0 C--O 1.227 -0.291 1 C-N-CA 131.406 4.336 . . . . 0.0 106.239 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.55 98.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.813 0.806 . . . . 0.0 110.822 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.83 -54.94 40.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.279 0.632 . . . . 0.0 109.887 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.42 -56.75 12.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 125.918 1.687 . . . . 0.0 109.679 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.41 -65.45 0.56 Allowed 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -42.9 -49.94 5.83 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.184 0.994 . . . . 0.0 112.409 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -53.34 -47.94 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.756 0.253 . . . . 0.0 110.82 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.62 -47.64 53.21 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 117.492 -1.242 . . . . 0.0 112.104 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 121.316 1.871 . . . . 0.0 110.152 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.2 -47.84 72.6 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.92 -51.92 42.55 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.341 0.972 . . . . 0.0 111.085 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -58.73 -55.58 33.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 109.456 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.55 75.41 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.513 -0.742 . . . . 0.0 111.976 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.11 -39.13 86.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.273 1.029 . . . . 0.0 109.676 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.25 30.39 8.26 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.416 1.008 . . . . 0.0 110.954 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -100.62 -71.4 0.71 Allowed 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.74 134.66 53.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 174.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.32 -172.55 44.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.07 162.24 26.12 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 107.319 -2.312 . . . . 0.0 107.319 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -49.04 -55.8 10.96 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.426 1.113 . . . . 0.0 111.598 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -57.19 -23.46 47.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -89.74 -1.78 58.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.837 1.255 . . . . 0.0 111.464 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.93 58.89 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.688 1.131 . . . . 0.0 113.46 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -55.72 -56.18 23.56 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.308 0.575 . . . . 0.0 109.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.2 ttp -52.12 -47.4 65.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.39 1.076 . . . . 0.0 110.171 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.4 m -54.16 -52.79 60.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.046 0.938 . . . . 0.0 109.03 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -40.85 90.23 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 122.124 -0.36 . . . . 0.0 110.417 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -56.3 23.96 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.115 0.416 . . . . 0.0 110.15 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.03 -30.55 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.698 -0.626 . . . . 0.0 111.6 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -31.3 62.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.005 0.82 . . . . 0.0 109.991 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -79.45 -11.71 59.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.208 0.603 . . . . 0.0 112.359 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.64 143.2 26.63 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.748 1.219 . . . . 0.0 110.363 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -87.62 171.44 10.47 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.31 -41.24 65.45 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 0.0 112.486 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -59.9 -52.55 64.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.668 1.187 . . . . 0.0 109.668 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.82 -50.36 72.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.737 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -56.26 -52.79 63.18 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 124.704 1.201 . . . . 0.0 111.534 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -56.7 -45.52 81.77 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 118.351 0.523 . . . . 0.0 110.393 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.83 74.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.72 -48.22 69.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.96 -55.65 25.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.09 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -53.49 -45.74 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.04 0.536 . . . . 0.0 111.039 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -56.46 -59.62 4.71 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.62 -26.7 67.21 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.515 0.726 . . . . 0.0 112.945 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 p -68.02 -18.93 64.85 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.258 -0.902 . . . . 0.0 112.481 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -106.74 41.87 1.38 Allowed 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.312 0.645 . . . . 0.0 110.971 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.426 -1.641 0 C-N-CA 126.335 1.854 . . . . 0.0 106.032 177.753 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.881 0 N-CA-C 110.456 -1.058 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.56 -51.47 15.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.937 0.895 . . . . 0.0 112.685 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.95 88.97 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.112 -0.368 . . . . 0.0 111.739 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.92 -44.02 94.17 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.776 1.23 . . . . 0.0 110.255 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -51.58 -43.73 62.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -30.24 -64.6 0.12 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 126.551 1.94 . . . . 0.0 113.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -53.1 -37.09 61.43 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -61.99 -24.63 67.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.347 1.459 . . . . 0.0 111.104 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -49.09 -34.16 6.44 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 123.475 0.71 . . . . 0.0 109.563 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.54 -36.88 6.32 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.018 0.818 . . . . 0.0 113.076 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.4 m -113.01 -31.4 6.69 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.094 0.947 . . . . 0.0 111.475 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.84 -19.71 17.97 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.73 165.09 34.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.69 -61.77 2.0 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 123.808 0.843 . . . . 0.0 111.063 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -90.4 36.93 0.89 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.915 0.886 . . . . 0.0 112.032 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.71 36.99 1.83 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.47 1.986 . . . . 0.0 114.175 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -83.29 -41.41 18.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.789 1.636 . . . . 0.0 113.508 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -64.78 131.16 46.05 Favored 'General case' 0 N--CA 1.421 -1.886 0 C-N-CA 123.841 0.857 . . . . 0.0 110.707 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.5 41.21 0.25 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.154 1.382 . . . . 0.0 111.555 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 44.46 -142.34 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.138 1.775 . . . . 0.0 111.765 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.1 mmt -115.47 43.04 2.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.62 1.168 . . . . 0.0 108.38 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.3 44.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.001 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 48.79 45.0 22.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.839 0.855 . . . . 0.0 112.221 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.06 146.66 54.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.863 0.465 . . . . 0.0 110.751 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 132.51 95.05 Favored Pre-proline 0 C--O 1.234 0.269 0 N-CA-C 102.913 -2.995 . . . . 0.0 102.913 170.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -57.57 139.12 89.2 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 N-CA-C 108.977 -1.201 . . . . 0.0 108.977 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -62.62 -43.73 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -27.8 89.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 128.28 2.632 . . . . 0.0 112.194 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.75 41.78 5.88 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.547 -1.14 . . . . 0.0 115.84 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.313 5.5 pt20 -58.6 -36.24 73.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.432 1.616 . . . . 0.0 110.531 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.18 135.55 2.26 Favored Glycine 0 C--O 1.218 -0.903 0 C-N-CA 126.203 1.859 . . . . 0.0 111.586 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.98 -36.61 50.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.573 2.187 . . . . 0.0 112.362 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.28 -55.63 23.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -49.14 -61.03 2.29 Favored 'General case' 0 N--CA 1.458 -0.031 0 C-N-CA 125.898 1.679 . . . . 0.0 108.857 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.0 mt -53.69 -50.02 66.77 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.314 2.246 . . . . 0.0 110.711 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.21 -47.52 85.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.482 1.037 . . . . 0.0 110.837 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -60.44 -52.78 63.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.657 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.0 -41.98 81.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.8 0.84 . . . . 0.0 110.905 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -67.16 -42.24 84.65 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.673 0.67 . . . . 0.0 109.799 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -40.46 97.67 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' A' ' 49' ' ' TYR . . . -43.48 -63.69 2.06 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 127.533 2.492 . . . . 0.0 110.178 172.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -60.29 -49.92 75.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.875 -1.163 . . . . 0.0 110.256 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.31 72.77 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.38 0.672 . . . . 0.0 112.074 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.56 -45.15 60.64 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.72 34.93 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.147 0.879 . . . . 0.0 111.866 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 p -68.3 -60.99 2.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.434 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 43.7 t80 -76.35 74.31 3.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.93 -177.36 42.17 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.74 162.46 9.27 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.711 1.148 . . . . 0.0 110.912 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 42.3 -118.41 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.301 1.84 . . . . 0.0 111.116 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.24 -32.83 68.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 124.092 0.957 . . . . 0.0 111.873 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -73.48 -13.03 60.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.0 0.92 . . . . 0.0 110.927 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.0 80.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.232 0.469 . . . . 0.0 111.493 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.6 mtm -58.07 -56.13 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.354 0.662 . . . . 0.0 109.459 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.452 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.3 ttp -52.78 -51.54 60.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.712 1.205 . . . . 0.0 109.077 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -47.97 -57.65 5.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.248 1.019 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -37.74 87.48 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.812 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.16 2.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.518 0.599 . . . . 0.0 110.407 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 57' ' ' MET . 13.8 m -63.56 -28.49 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.787 -0.571 . . . . 0.0 112.054 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.48 -29.01 14.92 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.284 0.947 . . . . 0.0 112.169 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -63.59 -30.31 71.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.832 0.742 . . . . 0.0 111.89 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.54 128.98 36.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.849 1.26 . . . . 0.0 111.363 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -86.3 175.77 8.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -47.44 -44.58 25.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.54 -51.36 69.77 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.913 0.863 . . . . 0.0 110.32 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.03 -52.02 67.57 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 126.528 1.931 . . . . 0.0 109.866 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.97 -55.13 29.99 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.58 0.752 . . . . 0.0 109.869 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.46 -49.85 69.12 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.955 0.902 . . . . 0.0 109.714 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.08 74.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.973 -0.537 . . . . 0.0 112.35 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.31 -46.3 70.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.75 -52.28 64.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.61 -49.98 66.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.393 0.277 . . . . 0.0 110.947 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.86 -59.78 4.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 110.201 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.5 mtm -54.11 -29.29 44.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 112.43 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -74.29 -1.82 22.36 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.696 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.56 50.12 1.88 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.253 1.285 0 CA-C-O 115.821 -2.038 . . . . 0.0 106.11 -171.577 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -54.72 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.116 1.366 . . . . 0.0 111.758 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.14 75.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 122.393 0.277 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.79 -43.42 88.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.398 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.49 -30.64 42.18 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.27 -34.56 57.73 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.901 -0.499 . . . . 0.0 111.423 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -82.32 6.27 17.51 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.606 0.762 . . . . 0.0 113.002 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -120.51 -37.32 3.04 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.946 1.698 . . . . 0.0 109.173 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.52 151.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.435 1.094 . . . . 0.0 108.19 172.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.7 -51.61 3.59 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.505 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.4 t -76.26 -46.84 26.12 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.845 1.822 . . . . 0.0 107.116 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.544 ' CE1' HG21 ' A' ' 29' ' ' VAL . 57.2 m-70 -76.42 -21.75 55.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.363 1.465 . . . . 0.0 112.006 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.64 -128.15 9.48 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 106.727 -2.549 . . . . 0.0 106.727 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.97 -70.15 0.83 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -84.71 49.91 1.8 Allowed 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 125.005 1.322 . . . . 0.0 110.981 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 28.8 47.88 0.08 OUTLIER Glycine 0 CA--C 1.532 1.151 0 C-N-CA 128.092 2.758 . . . . 0.0 116.296 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -107.6 -18.98 13.7 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.02 121.45 14.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 120.035 1.289 . . . . 0.0 110.929 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.24 41.93 0.55 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.89 0.876 . . . . 0.0 109.604 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.12 -114.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 131.212 3.805 . . . . 0.0 118.295 -170.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.7 mtm -61.69 91.99 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.86 59.28 4.82 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.895 1.236 . . . . 0.0 114.801 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m 58.9 55.6 4.47 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.125 0.97 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 146.3 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.643 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -63.72 143.51 98.02 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.14 146.3 86.53 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 N-CA-C 108.34 -1.446 . . . . 0.0 108.34 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' A' ' 14' ' ' HIS . 12.3 t -93.41 -29.29 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.459 0.703 . . . . 0.0 110.932 -174.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -36.45 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.309 1.844 . . . . 0.0 111.432 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.4 47.16 51.63 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.115 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -53.5 -50.55 65.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.875 2.337 . . . . 0.0 108.956 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.09 155.15 7.01 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 128.701 3.048 . . . . 0.0 109.202 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.11 99.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.062 0.931 . . . . 0.0 111.972 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.73 -53.2 57.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -50.51 -61.51 2.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 125.825 1.65 . . . . 0.0 109.002 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -52.64 -61.51 2.24 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.149 0.98 . . . . 0.0 109.182 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -44.07 -52.65 6.99 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.168 0.895 . . . . 0.0 111.74 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.06 -46.65 85.05 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.94 0.15 . . . . 0.0 110.793 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.23 -57.26 13.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.506 0.722 . . . . 0.0 111.542 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.31 86.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.156 1.344 . . . . 0.0 111.202 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -60.85 -46.74 89.4 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.31 77.11 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.277 0.942 . . . . 0.0 111.127 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.38 -53.72 53.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.24 77.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.755 0.822 . . . . 0.0 111.787 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -61.71 -36.56 81.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.907 0.883 . . . . 0.0 109.719 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.48 29.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 p -93.33 -65.4 1.0 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -74.94 71.28 2.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.81 170.11 41.1 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.47 160.81 11.13 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 108.538 -1.825 . . . . 0.0 108.538 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 34.06 -114.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.647 1.979 . . . . 0.0 112.684 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -53.69 -31.58 48.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.545 1.538 . . . . 0.0 112.984 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -78.55 -6.65 56.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.474 0.71 . . . . 0.0 111.873 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.34 -41.77 66.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.854 0.752 . . . . 0.0 111.078 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.1 -47.9 83.56 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.33 0.652 . . . . 0.0 109.733 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' HG22 ' A' ' 61' ' ' VAL . 1.4 mtm -58.53 -52.61 64.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -47.47 -56.13 7.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.042 0.537 . . . . 0.0 109.685 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -47.97 78.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.767 0.712 . . . . 0.0 110.778 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.27 -60.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.919 0.327 . . . . 0.0 111.074 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 57' ' ' MET . 8.6 m -70.91 -23.42 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.752 -0.593 . . . . 0.0 112.415 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -59.4 -29.84 68.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.04 1.291 . . . . 0.0 109.928 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -73.41 -12.4 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.28 -168.2 2.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.454 1.502 . . . . 0.0 109.214 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.0 m -157.31 176.96 12.0 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.897 1.679 . . . . 0.0 108.254 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -44.03 -53.26 6.45 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -173.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.08 -54.68 14.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.557 1.143 . . . . 0.0 110.521 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.7 -51.59 68.74 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.996 -1.457 . . . . 0.0 110.268 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.47 -49.82 73.54 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.953 1.301 . . . . 0.0 111.14 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -58.62 -50.5 73.59 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.72 78.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.93 -51.6 67.47 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.23 -54.77 39.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.724 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -50.4 -43.99 54.83 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.21 0.604 . . . . 0.0 111.223 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -57.69 -60.78 3.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.401 0.619 . . . . 0.0 109.889 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.7 mtm -59.61 -24.56 63.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.137 0.975 . . . . 0.0 113.334 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.0 m -67.54 -17.64 64.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 123.813 0.845 . . . . 0.0 112.719 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -131.64 64.32 1.59 Allowed 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 26.5 tp . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 116.462 -1.733 . . . . 0.0 107.814 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.52 98.93 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.767 0.784 . . . . 0.0 112.594 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.06 57.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -49.8 -48.5 50.65 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 125.325 1.45 . . . . 0.0 111.636 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -47.31 -31.8 4.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.376 1.07 . . . . 0.0 113.747 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -48.49 -39.72 24.06 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.959 0.345 . . . . 0.0 110.923 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -62.91 -22.66 66.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.98 -23.86 22.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.818 1.247 . . . . 0.0 111.36 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.61 141.59 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.01 -42.44 1.9 Allowed Glycine 0 CA--C 1.521 0.468 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -96.76 -40.99 8.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.628 1.214 . . . . 0.0 108.65 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -105.56 -27.96 11.06 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.57 -159.1 20.39 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.63 -47.0 28.34 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.25 1.025 . . . . 0.0 112.757 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -85.44 -65.06 1.05 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.208 0.603 . . . . 0.0 109.91 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.64 41.79 0.03 OUTLIER Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.964 1.745 . . . . 0.0 109.851 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 p -101.53 -38.91 7.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -172.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -58.96 134.73 57.22 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 124.139 0.976 . . . . 0.0 113.195 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 115.11 7.93 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.66 -122.82 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.938 0.895 . . . . 0.0 110.445 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.1 83.42 0.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.67 -167.35 38.57 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -69.34 57.81 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.152 1.781 . . . . 0.0 113.406 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 137.24 57.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 110.048 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.32 119.61 29.18 Favored Pre-proline 0 N--CA 1.435 -1.185 0 C-N-CA 124.528 1.131 . . . . 0.0 108.063 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.23 136.84 55.1 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.888 1.725 . . . . 0.0 110.197 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -85.1 -35.05 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.935 0.894 . . . . 0.0 109.585 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.56 113.42 0.64 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.451 1.1 . . . . 0.0 108.744 176.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.0 77.99 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 116.941 -2.033 . . . . 0.0 117.596 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.51 -48.11 82.91 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.176 2.988 . . . . 0.0 108.154 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 143.19 4.27 Favored Glycine 0 C--O 1.219 -0.786 0 C-N-CA 128.886 3.136 . . . . 0.0 109.988 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.76 -48.25 15.41 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.181 1.392 . . . . 0.0 114.654 -177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.32 73.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.731 0.696 . . . . 0.0 109.899 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.22 2.21 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.058 1.743 . . . . 0.0 107.904 177.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.0 mt -53.31 -63.42 1.15 Allowed 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.585 1.954 . . . . 0.0 109.221 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -41.69 -53.0 3.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.5 0.72 . . . . 0.0 110.956 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -59.17 -44.36 92.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.09 -44.73 71.91 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.154 -0.926 . . . . 0.0 112.433 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -41.51 90.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 121.251 1.841 . . . . 0.0 108.75 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -55.73 -44.43 77.52 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.46 ' CA ' ' HB3' ' A' ' 49' ' ' TYR . . . -43.66 -67.05 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 128.789 3.09 . . . . 0.0 110.71 173.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.46 -49.17 78.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.909 -1.145 . . . . 0.0 110.43 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.92 74.51 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.569 0.747 . . . . 0.0 111.747 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.06 -42.41 66.29 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.04 -15.09 40.28 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.983 0.801 . . . . 0.0 111.267 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -61.27 -61.13 2.77 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' HB3' ' CA ' ' A' ' 43' ' ' GLY . 55.0 t80 -76.58 72.22 3.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.73 179.97 30.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.03 162.39 35.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 106.996 -2.441 . . . . 0.0 106.996 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -43.75 -55.18 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.106 0.953 . . . . 0.0 113.5 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -59.86 -26.92 66.23 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -92.26 -1.96 56.76 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.156 1.383 . . . . 0.0 111.069 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.56 -44.87 66.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.991 0.814 . . . . 0.0 112.11 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 ptp -59.21 -46.07 89.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.687 0.395 . . . . 0.0 110.934 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.5 ttp -61.3 -50.25 73.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -46.68 -53.11 12.35 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.701 0.8 . . . . 0.0 109.618 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -43.31 99.1 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.178 0.899 . . . . 0.0 110.765 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.113 0.415 . . . . 0.0 110.618 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.2 m -78.71 -21.38 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.49 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -53.97 -35.51 61.87 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.079 1.308 . . . . 0.0 109.76 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -63.83 -22.16 66.78 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.696 0.798 . . . . 0.0 112.244 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.72 121.15 27.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.127 1.371 . . . . 0.0 111.127 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -82.75 -176.98 6.56 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.93 -49.57 62.86 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.51 -52.78 60.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.975 0.893 . . . . 0.0 109.302 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.5 -51.07 69.89 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.305 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 mt -57.19 -51.02 71.0 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.373 0.669 . . . . 0.0 110.496 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -57.56 -44.21 85.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.16 87.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.29 -0.256 . . . . 0.0 111.641 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.4 tp -59.4 -49.64 77.02 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.9 53.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.938 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -48.67 -51.74 26.85 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.84 0.856 . . . . 0.0 111.279 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -49.8 -63.48 1.1 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.675 0.79 . . . . 0.0 110.211 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.3 mtm -61.82 -24.35 66.82 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -79.82 1.36 27.2 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.961 -1.018 . . . . 0.0 112.631 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -135.42 48.6 2.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -174.135 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.55 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.151 1.781 . . . . 0.0 113.184 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.9 71.94 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 118.539 0.609 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -41.05 -42.0 1.83 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.584 1.554 . . . . 0.0 113.839 -176.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -48.57 -39.5 23.88 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.918 1.287 . . . . 0.0 111.636 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -65.79 -22.65 66.59 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.319 1.048 . . . . 0.0 113.112 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -87.21 -24.78 24.31 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.525 1.53 . . . . 0.0 111.155 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.65 146.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 -47.95 1.33 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.0 -44.69 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.974 1.387 . . . . 0.0 107.419 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -93.5 -32.32 14.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.71 -172.28 14.48 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -69.44 0.28 Allowed 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -69.61 -48.96 58.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.892 0.877 . . . . 0.0 109.302 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.81 48.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 C-N-CA 126.478 1.99 . . . . 0.0 109.97 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -98.2 -27.37 14.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.761 2.024 . . . . 0.0 115.181 -173.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -80.5 144.02 32.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 119.834 1.197 . . . . 0.0 111.203 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.8 90.61 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.525 0.73 . . . . 0.0 110.375 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.64 143.78 3.62 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.303 0.641 . . . . 0.0 110.065 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.0 mtp 47.13 35.72 3.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.391 1.076 . . . . 0.0 111.413 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.52 34.33 27.15 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.976 1.274 . . . . 0.0 113.171 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -163.73 -28.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.51 143.55 40.28 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.69 142.84 98.05 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -66.06 150.24 85.42 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -92.48 -33.07 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 122.971 0.509 . . . . 0.0 111.363 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 113.65 0.86 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.63 33.73 83.39 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.057 -1.968 . . . . 0.0 116.64 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.88 -55.38 35.86 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 122.048 2.924 . . . . 0.0 107.828 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.35 142.47 3.41 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 111.983 -2.371 . . . . 0.0 109.535 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.3 76.69 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 119.344 1.572 . . . . 0.0 112.138 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -49.67 72.22 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -50.27 -61.05 2.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.366 1.066 . . . . 0.0 108.905 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.57 -60.06 3.8 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.398 1.079 . . . . 0.0 109.393 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -43.75 -57.53 3.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 119.566 1.076 . . . . 0.0 111.231 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.65 -49.27 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.317 -1.311 . . . . 0.0 110.711 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.39 -55.61 26.22 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.08 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -41.26 80.23 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 120.361 1.437 . . . . 0.0 110.668 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -62.71 -47.86 81.76 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.64 34.66 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.78 1.657 . . . . 0.0 110.664 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.1 -59.02 6.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.742 0.817 . . . . 0.0 109.164 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.62 55.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.104 0.561 . . . . 0.0 112.096 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.53 -39.07 85.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.628 0.771 . . . . 0.0 110.916 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.9 12.71 27.22 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.679 1.133 . . . . 0.0 111.647 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -41.6 26.19 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -96.34 151.57 19.4 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.81 -164.14 31.13 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.38 112.11 1.15 Allowed Glycine 0 CA--C 1.531 1.066 0 CA-C-N 117.76 0.78 . . . . 0.0 112.105 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 46.95 -107.2 0.16 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.797 1.639 . . . . 0.0 111.359 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -52.15 -35.41 48.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.969 1.707 . . . . 0.0 111.791 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -67.84 -5.52 17.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.974 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.83 98.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.926 0.784 . . . . 0.0 110.454 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -62.22 -53.11 59.92 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 tpt -48.68 -52.69 22.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.077 1.751 . . . . 0.0 109.289 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 m -53.32 -54.88 30.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.284 1.034 . . . . 0.0 110.043 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -40.65 76.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.635 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.47 8.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.01 0.368 . . . . 0.0 110.518 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -66.28 -32.58 58.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 121.874 -0.516 . . . . 0.0 112.336 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -54.9 -24.19 22.34 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.79 0.836 . . . . 0.0 112.436 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.19 -17.8 61.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.79 0.723 . . . . 0.0 112.092 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.7 179.07 6.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.836 1.254 . . . . 0.0 111.099 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 t -127.0 162.94 24.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 110.074 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -42.98 -49.87 5.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.095 1.358 . . . . 0.0 113.964 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -55.86 -44.36 77.99 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.836 0.854 . . . . 0.0 111.057 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.41 -54.19 46.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.67 -50.17 55.46 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.238 1.015 . . . . 0.0 112.233 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -50.6 70.44 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.352 0.596 . . . . 0.0 109.689 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.43 75.1 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.287 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 tp -65.68 -49.88 66.97 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.77 -54.04 47.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.556 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.68 -51.73 62.28 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.372 -0.205 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -54.16 -57.01 12.75 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.321 1.048 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.11 -26.91 69.04 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.805 -0.559 . . . . 0.0 112.101 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -76.87 6.06 6.79 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.186 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -134.07 43.54 2.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 -174.109 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.729 0 CA-C-O 121.668 0.594 . . . . 0.0 114.255 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.07 -57.98 9.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.431 1.492 . . . . 0.0 114.111 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.62 63.9 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.16 0.584 . . . . 0.0 111.774 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.95 -56.72 4.6 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -48.1 -41.24 25.78 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.616 1.166 . . . . 0.0 113.8 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.6 -32.24 12.37 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.778 0.717 . . . . 0.0 112.522 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -44.73 53.87 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 122.758 1.266 . . . . 0.0 110.166 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -33.36 69.44 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 129.342 3.057 . . . . 0.0 110.938 -175.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -46.03 -35.87 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.78 0.832 . . . . 0.0 109.332 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.47 -39.28 10.01 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.882 -0.954 . . . . 0.0 113.028 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 m -116.87 -12.14 10.79 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.714 1.257 . . . . 0.0 112.555 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -121.49 -5.79 9.27 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.04 -160.47 38.6 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 121.162 -0.961 . . . . 0.0 111.576 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.79 -55.5 5.43 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -80.49 45.57 0.78 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.194 1.397 . . . . 0.0 113.097 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 25.83 53.54 0.06 OUTLIER Glycine 0 CA--C 1.533 1.178 0 C-N-CA 127.947 2.689 . . . . 0.0 114.713 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -121.89 -109.06 0.34 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.024 0.912 . . . . 0.0 111.653 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt 41.06 110.93 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.954 3.302 . . . . 0.0 114.966 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.43 68.22 2.08 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.65 -91.45 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.373 1.469 . . . . 0.0 111.436 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 mmt -75.46 70.58 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.79 -172.28 54.83 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -64.59 69.2 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.079 1.752 . . . . 0.0 113.247 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 123.27 20.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.218 1.007 . . . . 0.0 110.288 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 131.26 63.98 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.94 93.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.709 1.606 . . . . 0.0 111.526 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.409 HG23 ' H ' ' A' ' 29' ' ' VAL . 2.9 t -27.9 -47.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 129.371 3.068 . . . . 0.0 113.436 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -31.47 95.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.459 2.304 . . . . 0.0 111.12 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 42.74 97.26 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 117.824 -1.542 . . . . 0.0 116.942 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.15 -50.8 68.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.096 1.948 . . . . 0.0 106.75 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 143.74 3.76 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 128.573 2.987 . . . . 0.0 108.082 173.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -42.4 76.29 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.249 2.524 . . . . 0.0 111.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.11 -57.86 11.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.155 0.502 . . . . 0.0 109.715 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.76 -57.94 7.14 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 126.025 1.73 . . . . 0.0 109.614 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.07 -61.02 2.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 108.644 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -45.8 -55.07 7.04 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.312 0.96 . . . . 0.0 112.119 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -53.35 -46.19 69.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.166 0.291 . . . . 0.0 110.881 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -67.09 -42.04 85.31 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.395 1.078 . . . . 0.0 111.404 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.8 mmt -58.68 -47.86 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 120.884 1.675 . . . . 0.0 108.62 175.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -58.24 -44.84 88.46 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.96 -64.77 1.59 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 127.865 2.65 . . . . 0.0 111.409 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -65.67 -51.73 57.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.66 -1.27 . . . . 0.0 109.772 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.37 65.4 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.977 -0.452 . . . . 0.0 111.761 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -93.22 20.2 7.23 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.698 0.399 . . . . 0.0 111.598 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.15 31.54 3.09 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.991 1.281 . . . . 0.0 113.562 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -99.59 -43.73 6.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.562 1.145 . . . . 0.0 108.396 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -95.06 135.33 36.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.69 42.51 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 119.999 1.272 . . . . 0.0 111.447 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.5 170.68 27.65 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.383 -2.287 . . . . 0.0 107.383 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -50.35 -55.16 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.971 0.885 . . . . 0.0 110.297 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.27 -22.02 50.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.436 1.094 . . . . 0.0 113.151 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -92.75 -24.57 18.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.078 0.951 . . . . 0.0 112.094 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.58 -58.43 0.49 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.6 ttt -54.31 -53.8 48.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.671 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -55.44 -47.91 75.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.814 0.846 . . . . 0.0 109.552 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.0 m -52.36 -53.71 41.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.034 0.934 . . . . 0.0 109.11 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.38 98.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.812 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.76 -60.07 4.42 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.086 0.403 . . . . 0.0 110.781 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.24 -31.83 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.802 -0.561 . . . . 0.0 111.081 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.12 -24.58 59.3 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.403 -0.81 . . . . 0.0 112.044 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -75.89 -7.39 54.42 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.878 0.763 . . . . 0.0 112.229 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.64 -169.32 1.68 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.863 1.265 . . . . 0.0 111.173 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -149.22 158.36 44.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.683 1.193 . . . . 0.0 107.951 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -40.46 -49.13 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -51.97 -53.64 39.04 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 122.028 0.918 . . . . 0.0 109.97 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.16 -48.5 81.28 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.221 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.5 mt -55.48 -50.87 68.77 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.487 1.115 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -58.87 -45.88 89.12 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.95 76.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 72' ' ' LEU . 4.9 tp -62.31 -50.06 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.97 -51.34 69.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.032 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.41 -52.21 47.97 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.612 0.365 . . . . 0.0 110.752 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -52.84 -62.45 1.64 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.176 0.991 . . . . 0.0 110.442 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.48 -22.66 66.42 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -87.17 11.46 13.97 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.099 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -137.98 43.78 2.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.422 -1.864 0 C-N-CA 127.459 2.304 . . . . 0.0 105.844 -173.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.856 0 N-CA-C 107.388 -2.285 . . . . 0.0 107.388 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.63 -47.9 19.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.969 1.707 . . . . 0.0 111.949 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.96 -35.89 16.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.475 1.11 . . . . 0.0 112.914 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.44 -47.84 6.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -44.6 -43.68 8.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.805 1.242 . . . . 0.0 112.198 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -42.06 -38.77 1.75 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -79.63 -41.71 26.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.863 0.756 . . . . 0.0 110.705 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.57 -30.98 33.74 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.517 2.327 . . . . 0.0 112.031 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.02 -38.86 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.844 1.258 . . . . 0.0 110.157 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.26 -41.94 3.08 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.053 0.835 . . . . 0.0 112.773 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 m -111.42 -45.65 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.261 1.03 . . . . 0.0 110.699 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' CE1' HG21 ' A' ' 29' ' ' VAL . 98.3 m-70 -87.16 -4.04 59.09 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.67 -178.09 32.83 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 120.837 -1.165 . . . . 0.0 111.1 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -51.27 65.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -157.95 76.75 0.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.749 0.819 . . . . 0.0 108.803 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.65 -27.2 0.06 OUTLIER Glycine 0 CA--C 1.523 0.585 0 C-N-CA 119.337 -1.411 . . . . 0.0 115.942 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t 67.74 85.44 0.14 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.879 1.339 . . . . 0.0 111.081 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -57.92 163.62 2.62 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.95 72.15 1.59 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -172.1 0.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.967 1.307 . . . . 0.0 111.558 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -23.89 111.71 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.714 2.006 . . . . 0.0 113.611 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.67 77.96 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 123.697 0.665 . . . . 0.0 113.369 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m 57.73 55.1 5.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.005 0.922 . . . . 0.0 109.798 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 142.42 29.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.71 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -54.33 121.64 32.79 Favored Pre-proline 0 N--CA 1.438 -1.051 0 C-N-CA 125.652 1.581 . . . . 0.0 107.813 173.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.01 131.73 47.73 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 121.037 1.158 . . . . 0.0 111.51 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 14' ' ' HIS . 8.3 t -80.0 -32.17 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.487 1.115 . . . . 0.0 109.764 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -37.65 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.723 2.409 . . . . 0.0 109.952 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 38.38 96.3 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.32 -54.0 50.89 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.401 2.101 . . . . 0.0 107.448 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.56 145.08 4.05 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 127.98 2.705 . . . . 0.0 110.347 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.66 -44.37 37.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.067 0.947 . . . . 0.0 112.976 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -64.64 -51.75 60.96 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.524 0.602 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -51.19 -58.47 6.05 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-O 122.108 0.956 . . . . 0.0 108.68 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.4 mt -53.31 -61.54 2.23 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -43.9 -51.86 7.25 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.336 1.054 . . . . 0.0 111.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -57.23 -45.84 83.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.177 0.591 . . . . 0.0 111.081 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.36 -50.35 60.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.015 1.326 . . . . 0.0 111.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -41.74 83.07 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.713 1.597 . . . . 0.0 109.878 174.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.27 -43.27 99.15 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.36 -57.81 3.61 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 128.168 2.794 . . . . 0.0 111.404 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -66.4 -53.52 34.95 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 109.865 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.25 56.71 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.181 0.592 . . . . 0.0 111.614 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.91 10.62 4.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.998 0.919 . . . . 0.0 111.89 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.58 38.69 14.78 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 125.434 1.492 . . . . 0.0 112.21 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -125.89 -49.02 1.61 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.853 0.461 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -78.49 56.49 1.79 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.761 -0.587 . . . . 0.0 111.472 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.11 179.95 20.98 Favored Glycine 0 CA--C 1.523 0.569 0 O-C-N 121.509 -0.744 . . . . 0.0 112.76 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.45 -177.52 47.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 44.71 -100.45 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.109 1.764 . . . . 0.0 112.5 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -56.5 -28.87 60.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.65 0.78 . . . . 0.0 112.24 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -90.89 2.17 56.4 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.697 1.199 . . . . 0.0 111.777 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.08 79.64 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.718 0.69 . . . . 0.0 112.674 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -57.94 -57.62 11.99 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.714 0.769 . . . . 0.0 109.524 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.2 ttp -53.56 -49.58 67.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.513 1.525 . . . . 0.0 109.684 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.6 m -51.93 -57.77 8.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.136 0.975 . . . . 0.0 109.529 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -39.67 81.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.56 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.68 18.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.1 -27.4 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.594 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -57.48 -29.17 64.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.969 0.804 . . . . 0.0 111.05 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.56 -11.24 59.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.062 0.545 . . . . 0.0 112.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.32 -158.53 0.48 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.383 1.473 . . . . 0.0 109.783 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 m -143.97 -86.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.891 -0.506 . . . . 0.0 112.082 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -144.02 -54.36 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.828 0.451 . . . . 0.0 110.288 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -45.75 -51.92 11.86 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.896 1.679 . . . . 0.0 109.305 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -53.74 -54.4 38.65 Favored 'General case' 0 N--CA 1.426 -1.64 0 C-N-CA 128.357 2.663 . . . . 0.0 110.361 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.82 -49.01 78.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.468 0.707 . . . . 0.0 110.46 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.47 -47.3 86.05 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.35 80.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -69.11 -43.72 73.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.27 73.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.74 -50.36 55.68 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.379 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -47.76 -61.48 1.93 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.229 0.922 . . . . 0.0 110.266 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 mtm -65.29 -20.76 66.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.395 1.078 . . . . 0.0 113.328 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -90.47 2.5 55.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.261 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -120.69 38.71 3.95 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -175.092 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.846 0 CA-C-O 122.453 1.029 . . . . 0.0 113.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.35 -59.42 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 110.75 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.88 50.4 1.97 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 111.241 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.45 -55.74 0.35 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 129.86 3.264 . . . . 0.0 105.812 170.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -42.25 -41.03 2.61 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 125.157 1.383 . . . . 0.0 112.191 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -37.85 -42.05 0.57 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.132 1.373 . . . . 0.0 112.856 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -70.68 -47.72 58.42 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.273 0.558 . . . . 0.0 110.829 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -57.71 -36.16 71.62 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.973 2.109 . . . . 0.0 109.8 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -48.22 -36.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 123.224 0.61 . . . . 0.0 109.939 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.66 -34.43 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.21 -0.772 . . . . 0.0 112.518 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -38.53 4.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.254 1.027 . . . . 0.0 111.741 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 29' ' ' VAL . 73.5 m-70 -83.22 -22.02 33.24 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.84 -171.98 54.71 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.221 0.608 . . . . 0.0 111.727 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -83.96 48.38 1.45 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.67 0.788 . . . . 0.0 111.236 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.79 47.77 0.49 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 127.126 2.298 . . . . 0.0 113.095 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -106.05 -13.08 15.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.973 1.709 . . . . 0.0 115.031 -170.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.98 153.17 30.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 119.249 0.931 . . . . 0.0 112.884 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.35 67.74 3.35 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 126.28 24.5 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.224 1.01 . . . . 0.0 109.366 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 29.3 mtp 46.47 33.91 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.675 1.19 . . . . 0.0 112.139 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.22 -133.29 11.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -62.57 97.01 0.09 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.308 1.043 . . . . 0.0 111.871 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.95 147.67 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.645 1.178 . . . . 0.0 108.727 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -60.69 122.3 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.91 91.24 0.63 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.558 1.505 . . . . 0.0 109.146 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG21 ' CE1' ' A' ' 14' ' ' HIS . 9.4 t -23.4 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 C-N-CA 129.291 3.036 . . . . 0.0 113.971 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 26.63 -92.88 0.01 OUTLIER 'General case' 0 C--N 1.344 0.335 0 O-C-N 126.699 2.499 . . . . 0.0 108.871 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.52 70.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-O 118.59 -1.117 . . . . 0.0 110.44 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -44.96 -53.26 7.87 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.821 1.296 . . . . 0.0 108.783 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.09 138.14 2.36 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 129.261 3.315 . . . . 0.0 107.912 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.74 -49.42 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.151 1.381 . . . . 0.0 113.155 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -58.95 -53.13 61.84 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.196 0.998 . . . . 0.0 110.082 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -56.9 -53.85 53.21 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.799 1.239 . . . . 0.0 109.396 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 mt -54.78 -60.69 3.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.783 -1.098 . . . . 0.0 108.528 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.25 -56.94 3.76 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 124.481 1.112 . . . . 0.0 111.372 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.55 -48.69 62.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.764 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -52.76 55.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.182 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -62.08 -33.13 73.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.365 1.438 . . . . 0.0 111.215 178.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.45 -50.25 70.48 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.16 30.95 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.796 1.188 . . . . 0.0 110.784 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.23 -54.32 39.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.129 0.972 . . . . 0.0 110.439 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.43 77.64 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.169 0.588 . . . . 0.0 111.407 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.92 14.62 14.74 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.148 1.356 . . . . 0.0 111.402 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -44.33 24.83 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -95.6 135.39 37.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.9 -164.88 27.42 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.47 143.92 6.59 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.131 0.872 . . . . 0.0 111.641 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 47.54 -98.33 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.33 1.852 . . . . 0.0 112.391 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -61.51 -41.14 96.86 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.635 0.731 . . . . 0.0 109.578 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -80.74 77.05 7.62 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 -64.83 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.904 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 tpp -53.94 -54.18 42.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.496 0.665 . . . . 0.0 109.207 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 ttp -50.5 -53.05 32.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.486 1.114 . . . . 0.0 109.532 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -50.05 -53.52 26.38 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.419 1.088 . . . . 0.0 110.503 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -38.33 90.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.772 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.92 -56.13 26.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 109.794 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.97 -25.83 37.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.612 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.71 -25.3 62.77 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.465 1.029 . . . . 0.0 109.826 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -74.1 -23.73 59.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.365 0.53 . . . . 0.0 111.628 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 132.86 37.58 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.245 1.018 . . . . 0.0 110.921 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.09 164.81 26.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.018 1.327 . . . . 0.0 110.748 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -49.67 -47.08 50.38 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.394 -0.816 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -60.89 -46.32 91.07 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.107 0.479 . . . . 0.0 110.083 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.28 -49.18 76.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -57.98 -53.04 62.7 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -54.04 -48.59 70.37 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.375 0.607 . . . . 0.0 109.736 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.53 70.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -48.99 59.04 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.39 34.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.063 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.2 -50.33 69.65 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.606 0.362 . . . . 0.0 111.364 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.8 -57.85 9.37 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.169 0.588 . . . . 0.0 110.404 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.1 mtm -60.46 -34.11 73.53 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 121.865 -0.522 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -66.46 3.41 0.96 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.983 -1.698 . . . . 0.0 113.229 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -139.65 49.59 1.79 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.304 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -173.233 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.798 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.09 -50.11 67.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.717 0.807 . . . . 0.0 111.525 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.38 81.65 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.583 0.23 . . . . 0.0 111.044 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.16 -45.13 91.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.916 0.886 . . . . 0.0 110.81 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.83 -27.71 65.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -44.75 -54.46 6.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.652 1.181 . . . . 0.0 112.857 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -66.52 -41.29 89.02 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.147 0.975 . . . . 0.0 111.447 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.13 -38.32 76.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 128.029 2.531 . . . . 0.0 110.768 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 C-N-CA 123.769 0.827 . . . . 0.0 110.181 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.16 -35.6 26.96 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.373 -0.681 . . . . 0.0 112.951 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -109.44 -29.24 8.52 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.144 0.972 . . . . 0.0 112.341 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -95.07 -29.86 14.37 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.87 -172.41 38.68 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -75.51 0.09 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.846 -0.796 . . . . 0.0 109.138 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.18 52.8 2.28 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.294 1.438 . . . . 0.0 109.975 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 21.18 51.36 0.01 OUTLIER Glycine 0 CA--C 1.536 1.377 0 C-N-CA 129.447 3.403 . . . . 0.0 116.956 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -122.79 -17.01 6.97 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -68.81 150.41 47.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.044 1.747 . . . . 0.0 110.564 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 128.39 36.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.3 -135.86 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mtp -74.16 70.36 1.59 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.233 -0.917 . . . . 0.0 108.624 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.77 -172.75 42.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -48.87 117.28 2.0 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.415 1.486 . . . . 0.0 111.83 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.18 141.41 32.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.165 0.986 . . . . 0.0 108.373 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 120.21 47.07 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.56 140.48 65.03 Favored 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 121.384 1.389 . . . . 0.0 111.234 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 t -77.96 -28.62 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -35.58 105.27 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.473 1.509 . . . . 0.0 111.331 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.25 45.22 15.72 Favored Glycine 0 N--CA 1.437 -1.26 0 C-N-CA 127.213 2.339 . . . . 0.0 114.928 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.7 -169.51 0.12 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.283 2.041 . . . . 0.0 108.136 171.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.76 124.67 7.38 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.5 -46.25 1.69 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.137 1.375 . . . . 0.0 113.261 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -65.14 -46.43 80.96 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.8 0.727 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.63 -54.29 48.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.7 mt -51.73 -65.04 0.63 Allowed 'General case' 0 N--CA 1.428 -1.546 0 C-N-CA 125.723 1.609 . . . . 0.0 108.877 178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -36.79 -60.97 0.57 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.148 1.779 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -53.15 -53.46 50.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.056 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.75 -51.56 68.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.453 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.26 77.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 121.167 1.803 . . . . 0.0 110.043 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.29 -45.69 93.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.957 0.798 . . . . 0.0 109.482 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.55 -47.78 81.56 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.584 1.088 . . . . 0.0 111.527 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -59.26 -56.09 26.51 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.469 1.108 . . . . 0.0 108.971 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.85 66.71 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.029 0.532 . . . . 0.0 110.756 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.66 -32.55 72.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.999 0.92 . . . . 0.0 111.069 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 20.63 41.89 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.961 0.791 . . . . 0.0 111.444 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -91.41 -65.39 1.01 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -74.17 71.76 1.68 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.54 -142.7 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.26 127.88 3.57 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.067 0.841 . . . . 0.0 112.024 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 40.82 -103.74 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.276 2.231 . . . . 0.0 112.997 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -50.21 -35.89 28.41 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.21 1.004 . . . . 0.0 112.044 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -72.11 -8.72 56.23 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.871 0.868 . . . . 0.0 112.57 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.34 86.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.119 0.872 . . . . 0.0 111.347 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.77 -53.56 57.04 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.8 ttp -52.05 -50.06 62.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.849 0.86 . . . . 0.0 110.013 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -46.52 -53.34 11.49 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.675 0.79 . . . . 0.0 109.8 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -41.43 98.2 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.437 0.562 . . . . 0.0 110.426 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.15 73.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.433 0.56 . . . . 0.0 110.591 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 57' ' ' MET . 2.0 t -71.3 -30.33 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.825 -0.547 . . . . 0.0 110.765 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -25.55 35.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.905 0.775 . . . . 0.0 111.749 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.39 -23.88 67.44 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 117.965 0.348 . . . . 0.0 111.806 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -173.92 3.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.478 1.911 . . . . 0.0 111.208 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 m -161.62 175.56 11.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.615 2.366 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -38.08 -59.34 0.86 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -54.02 -48.83 70.08 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.851 0.75 . . . . 0.0 111.42 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.76 -44.82 88.82 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 mt -58.6 -52.23 66.56 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 123.981 0.913 . . . . 0.0 109.349 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -57.06 -53.19 60.88 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.171 0.588 . . . . 0.0 109.474 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.33 81.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.71 -45.68 67.69 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.09 -52.78 57.51 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.655 0.207 . . . . 0.0 110.596 173.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -54.99 -51.04 67.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.891 0.476 . . . . 0.0 110.425 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -55.7 -62.96 1.34 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.409 0.683 . . . . 0.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 mtm -55.7 -31.98 62.92 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.791 1.236 . . . . 0.0 112.969 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -62.0 -11.22 12.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.615 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -137.48 53.64 1.86 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.267 34.3 tp . . . . . 0 N--CA 1.432 -1.333 0 CA-C-O 115.495 -2.193 . . . . 0.0 107.895 -173.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.194 0.438 . . . . 0.0 114.194 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.16 -53.65 46.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.197 0.498 . . . . 0.0 111.467 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.0 -31.72 61.25 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.356 0.662 . . . . 0.0 111.446 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -77.33 -57.07 4.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -51.01 -33.91 27.05 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.323 1.449 . . . . 0.0 113.767 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -21.29 9.56 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -22.44 25.45 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.962 1.305 . . . . 0.0 111.929 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 m -91.26 -32.87 15.58 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.181 1.792 . . . . 0.0 111.823 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -53.82 159.91 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.306 0.574 . . . . 0.0 110.034 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.27 -54.56 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.96 -59.78 2.57 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 71.9 m-70 -61.37 -34.41 75.27 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.507 1.923 . . . . 0.0 112.564 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.2 -137.42 13.66 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.5 -62.79 1.25 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -67.81 -41.37 83.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.803 0.841 . . . . 0.0 110.947 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 114.1 62.33 0.41 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 125.334 1.445 . . . . 0.0 109.675 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -107.15 -30.92 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.16 1.784 . . . . 0.0 114.106 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -75.72 132.2 40.35 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -171.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 72.45 5.07 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 169.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -105.28 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.931 2.092 . . . . 0.0 113.916 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.0 mtt -70.8 77.56 0.62 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.335 -0.853 . . . . 0.0 109.636 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.36 -173.83 46.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.86 0.743 . . . . 0.0 111.246 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -64.89 66.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.439 1.895 . . . . 0.0 113.626 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.98 130.97 35.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.732 1.213 . . . . 0.0 110.055 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -62.11 133.08 94.01 Favored Pre-proline 0 C--N 1.345 0.381 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -60.13 141.9 97.17 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 N-CA-C 108.635 -1.333 . . . . 0.0 108.635 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.29 -38.35 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.553 -174.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -31.54 89.45 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.677 2.391 . . . . 0.0 112.579 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.32 48.08 2.82 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.253 1.406 . . . . 0.0 114.333 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.299 5.3 pt20 -57.95 -27.02 63.03 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.855 1.828 . . . . 0.0 112.547 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.91 135.04 1.75 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 126.813 2.149 . . . . 0.0 108.592 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.98 92.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.6 2.2 . . . . 0.0 110.728 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -47.64 81.79 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -48.07 -59.06 3.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.983 1.713 . . . . 0.0 109.231 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.11 -58.26 9.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.83 1.252 . . . . 0.0 109.385 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -41.72 -60.3 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.671 1.123 . . . . 0.0 111.506 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.21 -45.43 61.89 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.174 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -69.6 -45.83 67.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -45.95 76.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 121.045 1.748 . . . . 0.0 109.27 172.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.47 -41.59 90.07 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.58 -63.03 3.3 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 127.954 2.692 . . . . 0.0 110.644 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.48 -52.67 64.64 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.205 1.402 . . . . 0.0 110.036 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.13 69.42 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.453 0.701 . . . . 0.0 111.569 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.48 -33.62 71.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.76 -4.76 61.59 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 124.027 0.822 . . . . 0.0 112.285 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 p -73.95 -60.04 2.44 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -74.31 76.43 1.85 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.653 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.77 -171.44 39.65 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.97 148.05 6.88 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.515 1.055 . . . . 0.0 111.888 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 48.81 -101.03 0.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.54 1.936 . . . . 0.0 111.829 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -57.08 -42.38 80.58 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.536 1.134 . . . . 0.0 109.837 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -83.78 76.89 9.96 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.77 -68.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.273 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -53.51 -54.37 38.16 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -51.11 -54.19 27.37 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.38 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 m -50.4 -54.26 23.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.675 0.79 . . . . 0.0 111.023 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -36.98 84.59 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.6 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -58.92 6.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.779 0.718 . . . . 0.0 110.123 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.81 -32.5 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.065 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.04 -27.82 6.12 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.198 0.908 . . . . 0.0 112.728 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -62.78 -32.0 73.08 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.067 0.849 . . . . 0.0 111.488 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.23 127.36 32.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.131 1.372 . . . . 0.0 110.774 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 t -88.39 -175.03 4.85 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.37 -54.03 15.42 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -174.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.04 -57.88 2.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.472 1.109 . . . . 0.0 111.21 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -62.58 -47.65 82.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 125.771 1.629 . . . . 0.0 112.281 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.15 -48.17 79.36 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -60.52 -51.18 70.55 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.54 -55.93 22.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.74 -52.28 49.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.212 0.32 . . . . 0.0 110.394 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.16 -54.52 38.61 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.102 0.561 . . . . 0.0 111.545 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.05 -55.76 27.35 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.167 0.587 . . . . 0.0 110.742 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -57.83 -33.38 68.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.066 0.947 . . . . 0.0 112.103 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 m -85.55 23.14 1.42 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.386 1.074 . . . . 0.0 112.214 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -146.24 37.12 1.02 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.428 -1.56 0 C-N-CA 128.735 2.814 . . . . 0.0 106.623 -174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.769 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.66 -50.51 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.923 1.689 . . . . 0.0 113.056 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.53 86.75 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-O 120.622 0.249 . . . . 0.0 111.07 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -66.06 -50.4 64.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.266 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -42.83 -44.43 4.46 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -47.66 -34.52 8.2 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.201 1.401 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -69.54 -43.92 71.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.892 0.853 . . . . 0.0 110.543 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.29 -31.7 72.92 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 126.046 1.738 . . . . 0.0 110.953 -173.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -46.13 -37.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.638 0.775 . . . . 0.0 109.519 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.61 -38.28 7.26 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.428 1.013 . . . . 0.0 113.122 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 m -111.04 -31.75 7.02 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.313 1.056 . . . . 0.0 111.638 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.51 -4.07 32.08 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.87 165.37 31.2 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 121.182 -0.949 . . . . 0.0 112.822 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.35 -52.92 7.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.654 1.182 . . . . 0.0 111.853 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -108.49 43.88 1.19 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.226 1.011 . . . . 0.0 112.987 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.6 27.96 2.27 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.485 1.993 . . . . 0.0 114.731 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -83.77 -62.61 1.53 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.879 1.672 . . . . 0.0 113.8 -171.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -58.19 142.01 48.77 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 143.76 56.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.63 -128.55 0.08 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.517 0.727 . . . . 0.0 110.131 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 84.5 mmm -69.91 76.56 0.47 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.198 0.599 . . . . 0.0 110.639 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.51 -161.22 23.92 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.035 0.826 . . . . 0.0 112.02 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -62.07 70.88 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.739 2.015 . . . . 0.0 113.809 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.49 134.15 34.56 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.753 1.221 . . . . 0.0 109.031 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 134.31 96.01 Favored Pre-proline 0 C--N 1.343 0.283 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 172.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -58.21 140.04 92.76 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 N-CA-C 108.415 -1.417 . . . . 0.0 108.415 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.97 -37.27 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 118.954 -0.545 . . . . 0.0 109.711 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -35.82 95.96 0.01 OUTLIER 'General case' 0 C--N 1.343 0.323 0 C-N-CA 127.011 2.124 . . . . 0.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.86 49.56 1.98 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.502 1.525 . . . . 0.0 115.215 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.303 5.4 pt20 -58.57 -26.6 63.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.274 1.537 . . . . 0.0 110.534 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.09 134.1 1.83 Allowed Glycine 0 C--O 1.218 -0.874 0 C-N-CA 128.575 2.988 . . . . 0.0 108.232 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.09 73.11 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.955 2.877 . . . . 0.0 111.162 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.66 -53.43 47.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -62.45 1.39 Allowed 'General case' 0 C--N 1.339 0.133 0 C-N-CA 125.069 1.348 . . . . 0.0 108.467 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 mt -48.19 -67.3 0.28 Allowed 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 126.743 2.017 . . . . 0.0 109.22 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -44.58 -50.87 9.47 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.906 0.776 . . . . 0.0 111.888 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -57.83 -48.21 80.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.202 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.51 -49.52 66.25 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.259 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -42.04 87.08 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.777 1.626 . . . . 0.0 110.274 177.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.98 -43.72 94.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.756 0.707 . . . . 0.0 109.583 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.25 -53.43 23.79 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 125.319 1.438 . . . . 0.0 110.327 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -62.59 -55.0 31.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.571 0.748 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.1 70.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.552 0.341 . . . . 0.0 111.851 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.43 -40.5 85.49 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.88 12.6 25.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.63 1.11 . . . . 0.0 111.537 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.94 45.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -98.49 151.11 20.96 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.66 -155.7 26.51 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 109.089 -1.605 . . . . 0.0 109.089 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 121.55 3.66 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.144 0.878 . . . . 0.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 33.44 -91.44 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.166 2.587 . . . . 0.0 114.698 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -50.81 -33.77 24.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.735 1.214 . . . . 0.0 112.458 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -87.63 6.91 32.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.541 1.137 . . . . 0.0 112.065 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.78 11.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.767 1.167 . . . . 0.0 112.075 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.3 ttt -57.48 -45.49 84.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 tpt -51.31 -54.75 23.1 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.31 1.444 . . . . 0.0 109.469 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.9 m -54.73 -54.36 42.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.192 0.997 . . . . 0.0 109.652 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -44.63 76.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.23 -0.414 . . . . 0.0 110.786 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -59.5 5.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.839 0.29 . . . . 0.0 110.415 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.98 -31.59 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.137 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.31 -23.63 57.1 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.754 0.706 . . . . 0.0 111.614 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.96 -11.92 60.05 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.635 0.652 . . . . 0.0 112.149 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.59 177.49 6.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.936 1.294 . . . . 0.0 110.003 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -124.88 158.17 34.16 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.132 0.973 . . . . 0.0 109.694 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.01 -45.14 1.86 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.067 1.747 . . . . 0.0 113.983 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -57.88 -50.49 73.14 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 109.506 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.6 -47.62 81.65 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.203 1.001 . . . . 0.0 108.517 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.43 -52.85 63.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.99 0.916 . . . . 0.0 111.563 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -56.52 -46.37 80.63 Favored 'General case' 0 N--CA 1.457 -0.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.52 75.98 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.85 -50.15 58.19 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -52.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.36 -52.48 61.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.338 0.255 . . . . 0.0 110.981 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -53.1 -58.19 7.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.42 0.688 . . . . 0.0 110.24 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.7 mtm -63.7 -22.59 66.98 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -84.57 13.4 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.579 0.751 . . . . 0.0 111.772 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -147.21 48.91 1.12 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.253 1.268 0 CA-C-O 116.499 -1.715 . . . . 0.0 106.373 -171.417 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.788 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.64 30.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.048 0.939 . . . . 0.0 111.342 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.41 71.53 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 122.895 0.478 . . . . 0.0 110.583 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.73 -51.09 71.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.333 0.653 . . . . 0.0 110.268 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -47.33 -44.67 23.89 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -47.23 -42.97 21.35 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.867 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -66.46 -12.7 58.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -95.82 -19.64 19.45 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.26 1.824 . . . . 0.0 111.308 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.95 152.52 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.88 -51.25 1.33 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.49 -50.06 7.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.13 -28.99 27.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.677 0.791 . . . . 0.0 112.29 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 -160.4 34.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.92 -52.38 42.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.223 1.009 . . . . 0.0 113.408 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.3 66.76 1.19 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -173.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.43 31.89 14.4 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.38 -48.44 14.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 127.398 2.279 . . . . 0.0 113.399 -170.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -79.45 141.13 37.06 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.337 0.589 . . . . 0.0 110.865 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 78.12 0.97 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.29 132.71 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 128.397 2.679 . . . . 0.0 114.095 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.19 -75.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.681 1.592 . . . . 0.0 109.581 -170.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.16 118.28 0.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m 66.5 76.64 0.3 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 122.206 1.003 . . . . 0.0 110.449 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.53 140.99 24.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.516 2.326 . . . . 0.0 105.105 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -64.76 114.99 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 117.764 -1.112 . . . . 0.0 108.517 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.2 122.33 10.45 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.234 1.956 . . . . 0.0 111.716 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.63 -40.38 3.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 C-N-CA 124.97 1.308 . . . . 0.0 114.307 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -28.16 88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.578 1.951 . . . . 0.0 112.857 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.03 3.23 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.444 1.497 . . . . 0.0 116.006 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -48.8 -55.64 11.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 123.257 1.503 . . . . 0.0 107.781 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.43 146.7 4.81 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 130.451 3.881 . . . . 0.0 106.453 172.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.64 -36.81 72.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.377 1.088 . . . . 0.0 112.112 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.71 -56.89 15.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -50.85 -56.62 11.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.167 1.387 . . . . 0.0 110.342 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 39.1 mt -57.76 -49.85 75.2 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 126.458 1.903 . . . . 0.0 110.491 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -59.11 -47.95 83.39 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.036 0.835 . . . . 0.0 110.314 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.29 -55.61 31.63 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.762 0.425 . . . . 0.0 111.39 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.57 -46.28 89.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.625 0.77 . . . . 0.0 111.2 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -64.74 -39.62 93.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.109 0.413 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.18 -41.32 99.19 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -52.15 37.59 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 124.984 1.278 . . . . 0.0 110.153 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.31 -55.64 26.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.861 0.864 . . . . 0.0 109.689 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.04 60.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.905 -0.497 . . . . 0.0 112.264 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -88.41 19.36 3.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.945 0.898 . . . . 0.0 111.866 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.67 33.72 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.591 1.091 . . . . 0.0 113.395 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.4 m -102.4 -48.27 4.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.989 1.316 . . . . 0.0 109.099 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -93.27 136.75 33.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.37 -160.8 33.7 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 119.502 1.046 . . . . 0.0 111.221 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.39 179.07 31.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.159 1.383 . . . . 0.0 112.485 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -54.2 -35.64 62.6 Favored 'General case' 0 C--O 1.228 -0.051 0 C-N-CA 123.555 0.742 . . . . 0.0 112.037 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -68.18 -20.24 64.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.02 -45.74 32.32 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.639 1.109 . . . . 0.0 113.393 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 ttm -53.93 -60.14 3.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.364 0.666 . . . . 0.0 109.611 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.61 -51.06 61.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.215 1.406 . . . . 0.0 109.862 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -58.41 5.39 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.717 1.207 . . . . 0.0 109.481 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.28 84.44 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.623 -0.673 . . . . 0.0 111.356 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.29 70.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.333 0.515 . . . . 0.0 110.056 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.87 -27.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 119.295 -0.383 . . . . 0.0 111.481 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -52.64 -25.86 11.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.1 0.864 . . . . 0.0 111.942 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -67.35 -16.14 64.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.44 174.94 6.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.739 1.615 . . . . 0.0 112.26 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -144.57 174.12 11.23 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.997 2.119 . . . . 0.0 107.024 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -45.61 -48.38 14.66 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 116.617 2.081 . . . . 0.0 116.617 -168.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.35 -52.95 59.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.592 1.087 . . . . 0.0 109.021 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.74 -46.28 89.62 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.338 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.77 -55.6 32.17 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.407 0.549 . . . . 0.0 109.838 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -54.72 -48.75 72.12 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.582 0.753 . . . . 0.0 109.565 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.32 -31.58 72.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 118.398 -0.81 . . . . 0.0 112.481 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -49.28 74.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -57.0 14.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.264 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -50.42 -46.57 56.47 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.721 0.408 . . . . 0.0 111.744 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -60.66 -56.35 22.29 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -57.72 -26.32 61.61 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.54 0.736 . . . . 0.0 112.322 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -83.02 2.17 36.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.91 1.284 . . . . 0.0 112.901 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -137.09 45.52 2.23 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.429 -1.51 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -171.097 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.651 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.05 79.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.824 0.85 . . . . 0.0 109.974 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.41 -50.09 42.05 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.336 0.654 . . . . 0.0 110.968 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 68' ' ' GLU . 8.5 mp -60.95 -53.48 56.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -47.02 -41.33 16.36 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.249 1.02 . . . . 0.0 113.592 -175.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -39.73 -39.58 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.867 0.729 . . . . 0.0 112.064 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -50.03 63.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.363 1.078 . . . . 0.0 110.836 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.28 -27.78 68.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 127.355 2.262 . . . . 0.0 111.025 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.7 mt -48.38 -37.33 7.6 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.87 -30.76 22.85 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 119.093 -0.837 . . . . 0.0 113.02 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -45.82 3.93 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.563 1.182 . . . . 0.0 110.827 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -87.97 -18.19 29.62 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.46 162.23 37.57 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 119.132 0.878 . . . . 0.0 111.941 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.13 -57.69 4.28 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.458 1.103 . . . . 0.0 112.152 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.64 41.52 1.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.957 0.503 . . . . 0.0 110.691 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.01 34.37 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.625 2.06 . . . . 0.0 115.422 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.5 -22.0 21.56 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.264 1.426 . . . . 0.0 114.406 -172.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.79 108.04 4.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.692 0.678 . . . . 0.0 112.158 -175.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.0 3.6 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.43 -119.48 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 126.215 1.806 . . . . 0.0 113.484 -172.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.0 mtt -46.66 127.87 9.98 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.101 0.864 . . . . 0.0 112.077 -175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.12 33.73 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.944 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 58.78 51.65 7.39 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.681 1.24 . . . . 0.0 110.825 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.61 135.69 22.6 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.911 1.284 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -56.2 112.9 4.93 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 170.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.71 106.86 0.54 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.068 1.845 . . . . 0.0 112.543 -170.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 t -22.23 -53.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 129.509 3.124 . . . . 0.0 113.613 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -17.18 85.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.065 2.546 . . . . 0.0 112.811 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.86 50.06 39.35 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 117.52 -1.711 . . . . 0.0 115.619 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.95 -51.7 55.32 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.572 2.186 . . . . 0.0 108.626 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.07 135.01 2.03 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 128.459 2.933 . . . . 0.0 108.374 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.66 -41.81 10.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.923 1.861 . . . . 0.0 111.438 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -57.05 -57.56 12.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.339 0.656 . . . . 0.0 110.37 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.75 -58.38 7.78 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.739 1.615 . . . . 0.0 108.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.3 mt -48.62 -64.46 0.8 Allowed 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 125.8 1.64 . . . . 0.0 109.752 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -47.31 -55.9 7.86 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 124.794 1.237 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -51.74 -49.59 62.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.03 -45.06 67.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.203 0.91 . . . . 0.0 111.906 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.305 0.0 OUTLIER -62.12 -36.31 81.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 120.549 1.522 . . . . 0.0 110.293 177.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.26 -44.99 86.35 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.5 -58.92 2.41 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 127.085 2.279 . . . . 0.0 111.436 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -67.15 -51.2 56.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.203 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -34.29 67.07 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.957 -0.465 . . . . 0.0 111.731 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.71 -10.58 59.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.412 1.085 . . . . 0.0 111.317 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.56 21.28 74.49 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.519 -0.601 . . . . 0.0 112.112 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p -97.47 -53.31 3.49 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.17 133.61 41.41 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.4 -175.86 44.82 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.61 166.17 18.86 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.375 -2.29 . . . . 0.0 107.375 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -47.07 -60.43 2.47 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.468 1.134 . . . . 0.0 112.019 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.98 -27.48 52.97 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.2 0.6 . . . . 0.0 112.119 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -93.7 3.86 54.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.314 1.046 . . . . 0.0 111.862 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.75 26.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.628 1.558 . . . . 0.0 112.224 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -53.92 -53.33 54.14 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.096 0.958 . . . . 0.0 108.492 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 tpt -47.2 -55.99 7.52 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.666 1.987 . . . . 0.0 110.034 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -52.23 -56.37 15.14 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.486 0.715 . . . . 0.0 110.205 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -39.37 89.59 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.856 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.11 71.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.951 0.341 . . . . 0.0 110.247 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.85 -28.59 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -29.18 10.99 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 111.495 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.11 -25.38 67.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 140.6 31.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.083 1.353 . . . . 0.0 112.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -87.34 177.48 7.12 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.623 0.769 . . . . 0.0 109.966 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -55.71 -48.6 74.87 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -55.09 -50.74 68.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.421 1.088 . . . . 0.0 110.123 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 6' ' ' LEU . 5.0 mm-40 -58.26 -53.56 56.94 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 125.093 1.357 . . . . 0.0 109.843 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.28 -48.45 65.29 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.396 1.478 . . . . 0.0 110.852 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -55.16 -55.17 34.26 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.88 75.75 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -52.96 55.62 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.63 -51.24 63.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -53.94 -50.15 67.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.801 0.441 . . . . 0.0 110.575 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -58.66 -63.92 1.11 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.63 0.729 . . . . 0.0 110.614 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.5 mtm -54.25 -25.47 23.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.1 t -61.44 -11.33 10.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.377 -1.297 . . . . 0.0 113.362 176.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -132.92 57.42 1.8 Allowed 'General case' 0 C--N 1.341 0.22 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 32.7 tp . . . . . 0 N--CA 1.433 -1.32 0 C-N-CA 125.166 1.386 . . . . 0.0 107.278 -173.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.429 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.51 -50.46 62.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.889 1.276 . . . . 0.0 111.541 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.28 46.88 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.82 0.848 . . . . 0.0 112.385 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -88.24 -50.82 6.11 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.03 -41.96 17.57 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 112.518 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pptp? -47.68 -31.13 4.35 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -47.03 17.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.794 0.838 . . . . 0.0 109.908 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 m -57.59 -36.15 71.34 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.986 1.714 . . . . 0.0 109.619 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 mt -45.93 -35.07 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.679 1.191 . . . . 0.0 110.993 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.56 -38.83 4.25 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.329 0.966 . . . . 0.0 112.01 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -104.83 -46.26 4.35 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -63.21 -12.63 29.84 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 41.92 99.56 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 118.852 0.751 . . . . 0.0 113.095 171.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 65.22 -69.75 0.1 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.825 1.65 . . . . 0.0 112.41 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.6 -47.41 85.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.59 1.156 . . . . 0.0 111.962 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.43 -17.52 9.62 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.244 0.926 . . . . 0.0 111.835 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 m -79.25 43.06 0.51 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.721 1.26 . . . . 0.0 112.942 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 178.22 8.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.681 0.753 . . . . 0.0 112.809 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.68 85.55 2.34 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 169.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -148.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.505 0.722 . . . . 0.0 110.68 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ptm -72.94 64.1 0.68 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.5 -172.85 18.74 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.593 1.568 . . . . 0.0 109.991 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -72.8 63.92 0.65 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.418 1.487 . . . . 0.0 109.743 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 130.05 38.99 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.088 0.955 . . . . 0.0 109.748 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -63.06 141.45 97.71 Favored Pre-proline 0 CA--C 1.532 0.28 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.41 138.79 56.62 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.076 1.184 . . . . 0.0 109.928 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -79.7 -32.63 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.513 0.725 . . . . 0.0 111.732 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -42.3 98.95 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.902 1.281 . . . . 0.0 111.404 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.14 48.51 46.54 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 115.969 1.147 . . . . 0.0 115.969 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -53.64 -47.64 70.11 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 123.418 1.58 . . . . 0.0 107.799 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.71 149.27 5.0 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 129.08 3.228 . . . . 0.0 109.591 173.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.21 69.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.933 0.866 . . . . 0.0 111.408 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -59.72 -55.68 31.28 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.499 1.12 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -52.76 -59.41 4.53 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 126.113 1.765 . . . . 0.0 109.416 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.14 -58.34 7.71 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.233 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.72 -57.36 4.32 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 119.147 0.885 . . . . 0.0 110.465 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.37 -50.32 40.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.672 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -51.14 68.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 117.494 -1.241 . . . . 0.0 111.846 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -43.61 71.24 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 121.472 1.942 . . . . 0.0 110.446 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -59.32 -49.19 78.77 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.39 -49.58 38.15 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.748 1.166 . . . . 0.0 111.481 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -64.2 -52.95 56.39 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.269 0.628 . . . . 0.0 109.352 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.48 62.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.399 0.68 . . . . 0.0 111.753 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -86.53 15.89 5.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.43 1.492 . . . . 0.0 111.419 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.23 35.36 14.29 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.941 1.258 . . . . 0.0 112.851 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -111.84 -59.85 1.93 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 109.809 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -78.25 72.62 4.79 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.09 -157.98 8.21 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.53 -153.58 24.83 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 108.419 -1.872 . . . . 0.0 108.419 -174.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.78 -79.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.906 0.883 . . . . 0.0 112.143 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -52.65 -37.03 57.87 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.235 1.016 . . . . 0.0 111.195 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -58.06 -25.05 60.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.213 1.805 . . . . 0.0 112.455 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.61 -53.02 12.36 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.635 1.107 . . . . 0.0 113.75 -176.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -50.44 73.0 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.83 -52.42 41.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.293 1.437 . . . . 0.0 109.649 177.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -51.92 -56.38 14.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.714 1.606 . . . . 0.0 108.586 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -45.42 89.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.774 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.58 61.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.973 0.352 . . . . 0.0 110.447 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 p -74.5 -28.5 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -49.89 -37.57 31.94 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.385 0.993 . . . . 0.0 111.195 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.59 -19.57 65.74 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.78 133.61 35.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.745 1.218 . . . . 0.0 110.666 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 t -84.74 167.27 16.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.162 0.585 . . . . 0.0 109.886 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.8 -42.84 12.68 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.073 0.949 . . . . 0.0 112.915 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -51.31 -55.96 15.6 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 122.809 1.29 . . . . 0.0 111.118 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.38 -44.77 93.79 Favored 'General case' 0 N--CA 1.424 -1.735 0 C-N-CA 126.696 1.998 . . . . 0.0 109.226 -177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.16 -52.18 61.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.167 0.587 . . . . 0.0 110.24 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -58.94 -47.8 83.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.76 84.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.63 -52.14 64.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.15 62.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.309 0.381 . . . . 0.0 110.669 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.51 -53.21 54.78 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.238 -0.288 . . . . 0.0 110.607 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -53.73 -55.97 21.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.542 0.737 . . . . 0.0 111.046 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtm -64.18 -20.7 66.19 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -89.44 8.95 28.25 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.966 0.907 . . . . 0.0 111.464 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 37.64 4.28 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.661 -1.978 . . . . 0.0 105.661 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 79' ' ' LEU . 6.5 mt . . . . . 0 N--CA 1.429 -1.521 0 C-N-CA 129.342 3.057 . . . . 0.0 103.533 -174.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.888 0 N-CA-C 108.794 -1.722 . . . . 0.0 108.794 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.71 76.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.085 1.354 . . . . 0.0 112.667 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.87 90.9 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.993 -0.442 . . . . 0.0 110.686 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.61 -43.31 97.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.644 1.178 . . . . 0.0 110.09 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -51.2 -21.91 2.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.54 1.136 . . . . 0.0 113.474 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -53.77 -40.12 65.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 120.519 -1.363 . . . . 0.0 109.982 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -87.82 36.51 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.333 0.653 . . . . 0.0 110.863 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -143.42 -33.31 0.44 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.419 1.888 . . . . 0.0 111.215 -173.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -45.73 156.75 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 125.655 1.582 . . . . 0.0 109.88 171.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.12 -57.38 4.99 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.23 -44.93 43.45 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.225 1.513 . . . . 0.0 107.141 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.632 ' CE1' HG21 ' A' ' 29' ' ' VAL . 98.5 m-70 -93.19 6.15 49.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.566 0.746 . . . . 0.0 111.266 175.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 -111.05 3.25 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 107.659 -2.177 . . . . 0.0 107.659 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.25 25.19 3.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 172.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -159.26 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.36 19.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.786 0.708 . . . . 0.0 112.525 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -80.2 -23.56 40.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.461 1.131 . . . . 0.0 110.487 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.68 143.75 35.09 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.627 0.771 . . . . 0.0 110.893 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.66 23.16 2.75 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.99 0.516 . . . . 0.0 110.611 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 25.13 -135.78 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.585 3.154 . . . . 0.0 114.549 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.9 mmt -75.41 66.66 1.86 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.36 86.41 1.82 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 115.543 0.977 . . . . 0.0 115.543 171.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 51.74 43.24 30.11 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.68 141.9 56.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -59.28 122.5 64.17 Favored Pre-proline 0 N--CA 1.441 -0.888 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 172.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.14 136.23 53.51 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 121.648 1.565 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 14' ' ' HIS . 40.2 t -90.07 -34.9 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.618 1.567 . . . . 0.0 111.484 -173.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -38.47 101.38 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.829 1.651 . . . . 0.0 109.719 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.52 47.08 45.54 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.618 1.407 . . . . 0.0 116.618 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -56.12 -54.17 48.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.481 1.61 . . . . 0.0 107.941 173.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.38 135.53 2.58 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 128.355 2.883 . . . . 0.0 109.865 174.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.12 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.019 1.727 . . . . 0.0 113.784 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -63.69 -52.78 59.09 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 123.748 0.819 . . . . 0.0 109.47 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -60.16 3.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 126.421 1.888 . . . . 0.0 108.0 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.2 mt -52.88 -64.4 0.83 Allowed 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 127.331 2.252 . . . . 0.0 109.589 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -42.51 -52.97 4.53 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 124.694 1.198 . . . . 0.0 111.75 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -57.15 -47.79 80.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.137 0.273 . . . . 0.0 111.111 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -65.52 -52.5 52.13 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.595 -0.717 . . . . 0.0 112.517 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.28 80.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.013 1.279 . . . . 0.0 109.806 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.49 -43.22 99.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.5 63.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.302 0.953 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -58.9 -56.14 26.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.678 0.791 . . . . 0.0 109.371 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.27 75.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.73 0.412 . . . . 0.0 111.62 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.37 -38.02 89.51 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.652 0.781 . . . . 0.0 109.988 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.77 23.31 15.91 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.243 0.925 . . . . 0.0 111.23 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -95.36 -67.39 0.85 Allowed 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -74.12 73.12 1.72 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.21 -174.86 30.54 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.15 176.92 42.03 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -47.09 -53.17 13.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.161 0.984 . . . . 0.0 112.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -60.85 -24.35 65.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -89.11 -29.86 19.06 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.261 1.024 . . . . 0.0 110.771 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -20.78 -57.04 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.285 2.234 . . . . 0.0 116.173 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.1 mmt -56.02 -54.87 39.69 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 110.467 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.3 ttp -58.9 -47.92 83.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -48.99 -52.15 26.63 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.19 0.596 . . . . 0.0 110.082 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -41.26 89.05 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.95 -0.469 . . . . 0.0 110.611 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.8 -47.75 76.58 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.609 0.64 . . . . 0.0 110.31 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.77 -24.39 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.827 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -50.37 -36.54 32.87 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.839 1.199 . . . . 0.0 110.086 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -60.95 -28.9 69.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.276 1.03 . . . . 0.0 112.583 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 119.51 24.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.768 1.227 . . . . 0.0 111.408 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -83.04 -170.14 2.88 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.08 -53.23 53.42 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.9 -49.17 71.89 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.927 0.87 . . . . 0.0 110.336 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.25 -49.5 77.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.254 1.821 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.63 -50.32 70.49 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.212 0.605 . . . . 0.0 109.592 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.65 -41.52 95.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.189 0.196 . . . . 0.0 110.476 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.72 -45.0 80.1 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.34 -51.39 66.91 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.31 -47.58 81.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.526 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -51.27 -63.49 1.11 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 mtt -55.94 -33.67 64.94 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -65.85 -18.66 65.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.033 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -127.45 53.52 1.74 Allowed 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.257 43.1 tp . . . . . 0 N--CA 1.432 -1.351 0 CA-C-O 116.111 -1.899 . . . . 0.0 106.479 -170.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.831 0 CA-C-O 119.442 -0.643 . . . . 0.0 114.067 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.54 60.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.749 1.275 . . . . 0.0 112.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.87 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.75 -50.61 69.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.13 1.372 . . . . 0.0 111.109 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -45.8 -33.86 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.851 1.661 . . . . 0.0 114.517 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -50.4 -37.37 37.25 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.663 0.385 . . . . 0.0 110.854 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -62.71 -22.97 66.91 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.3 1.04 . . . . 0.0 113.438 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -90.2 -25.85 20.41 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.297 1.439 . . . . 0.0 111.211 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.34 142.72 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 -45.55 1.29 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -173.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -94.08 -31.07 14.35 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 117.95 0.875 . . . . 0.0 109.498 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 29' ' ' VAL . 54.0 m-70 -110.15 -41.31 4.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.75 174.56 19.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -174.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.06 96.69 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.755 0.777 . . . . 0.0 109.702 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.45 -71.04 0.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.68 61.85 0.03 OUTLIER Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -129.32 -22.57 3.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -169.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -71.36 158.56 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 0.0 111.447 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.68 77.61 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.826 0.85 . . . . 0.0 110.508 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.55 136.2 17.15 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.355 0.662 . . . . 0.0 110.271 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 38.7 mtp 46.6 33.31 1.97 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.934 1.294 . . . . 0.0 112.176 -174.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.23 -5.92 52.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.378 -1.234 . . . . 0.0 114.3 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -170.06 104.46 0.31 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.014 1.907 . . . . 0.0 109.341 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.44 144.15 15.37 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.42 139.61 94.85 Favored Pre-proline 0 C--O 1.234 0.247 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -64.31 141.7 76.18 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 N-CA-C 107.168 -1.897 . . . . 0.0 107.168 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 14' ' ' HIS . 9.6 t -86.2 -35.16 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 124.017 0.927 . . . . 0.0 108.613 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -33.34 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 127.671 2.388 . . . . 0.0 109.375 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.28 51.52 6.29 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 126.24 1.876 . . . . 0.0 116.639 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.0 -55.54 29.8 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 123.416 1.579 . . . . 0.0 108.145 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.09 144.27 4.0 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 128.376 2.893 . . . . 0.0 107.692 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.81 95.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 120.244 2.022 . . . . 0.0 112.982 -175.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.45 -52.17 62.57 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -48.86 -60.26 2.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.815 1.646 . . . . 0.0 108.162 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.71 -70.31 0.09 Allowed 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.651 1.58 . . . . 0.0 109.211 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -39.87 -55.86 1.9 Allowed 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 124.515 1.126 . . . . 0.0 112.143 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.6 -44.06 85.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -72.11 -43.62 64.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.83 96.49 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 121.531 1.969 . . . . 0.0 109.003 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -59.89 -43.67 94.65 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' C ' ' HB3' ' A' ' 49' ' ' TYR . . . -45.2 -61.32 3.62 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 128.268 2.842 . . . . 0.0 111.509 175.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.62 -52.5 63.11 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.385 1.474 . . . . 0.0 109.373 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.95 62.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.396 0.678 . . . . 0.0 111.16 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -73.53 -10.7 59.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.819 0.848 . . . . 0.0 111.967 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.14 28.48 73.6 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 123.777 0.703 . . . . 0.0 111.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 p -109.85 -49.99 3.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.099 0.96 . . . . 0.0 109.154 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.405 ' HB3' ' C ' ' A' ' 43' ' ' GLY . 42.1 t80 -74.37 66.33 1.32 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.337 0.655 . . . . 0.0 109.784 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.35 -165.69 32.45 Favored Glycine 0 CA--C 1.521 0.456 0 O-C-N 120.883 -1.136 . . . . 0.0 112.401 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.65 47.08 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 29.44 -110.46 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 113.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.16 -34.94 15.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.981 1.312 . . . . 0.0 113.813 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -63.89 -26.17 68.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.79 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.63 -48.61 2.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.32 -54.78 41.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 109.853 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -57.39 -48.45 79.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.684 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -45.81 -55.62 6.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.821 0.848 . . . . 0.0 109.403 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -39.4 92.33 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.186 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.76 77.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.649 0.659 . . . . 0.0 110.862 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.06 -22.84 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.205 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -46.5 -35.31 5.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.173 1.389 . . . . 0.0 111.128 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -52.49 -34.69 50.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.869 0.468 . . . . 0.0 111.551 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.0 128.96 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.191 1.396 . . . . 0.0 111.272 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 p -79.18 -79.2 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.262 1.025 . . . . 0.0 112.218 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.57 -61.91 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 125.286 1.435 . . . . 0.0 109.313 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -50.01 -47.68 52.93 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-O 122.54 1.162 . . . . 0.0 108.383 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -56.17 -55.91 27.4 Favored 'General case' 0 N--CA 1.422 -1.843 0 C-N-CA 125.667 1.587 . . . . 0.0 110.958 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 mt -53.79 -49.33 68.54 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.23 1.012 . . . . 0.0 110.635 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.56 -44.71 89.78 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.0 79.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.01 -48.22 82.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.26 -61.32 2.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.209 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -42.92 -50.11 5.83 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.126 0.97 . . . . 0.0 112.776 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -47.75 -56.82 6.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.557 0.343 . . . . 0.0 110.752 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.8 mtm -74.13 -21.95 59.66 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -64.17 -30.74 71.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.116 0.871 . . . . 0.0 112.919 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -112.02 53.41 0.73 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 1.9 tp . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 105.539 -2.023 . . . . 0.0 105.539 -170.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.1 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.51 -42.38 32.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.737 1.215 . . . . 0.0 110.766 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.25 -48.0 46.1 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.706 0.803 . . . . 0.0 111.934 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.04 -48.02 47.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.215 1.406 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -45.36 -29.25 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.841 1.656 . . . . 0.0 114.66 -175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -44.33 -38.18 3.76 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.033 1.333 . . . . 0.0 112.24 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -65.61 -51.91 56.04 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 123.375 1.559 . . . . 0.0 110.807 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.21 -34.24 63.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 131.225 3.81 . . . . 0.0 111.306 -174.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -43.66 -40.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.683 175.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.8 -38.11 3.08 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.695 1.141 . . . . 0.0 113.578 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.4 m -114.35 -36.68 4.57 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.339 1.069 . . . . 0.0 111.975 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.16 -10.74 40.69 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.69 177.29 51.11 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.423 -0.798 . . . . 0.0 112.789 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.87 -55.88 7.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.916 1.287 . . . . 0.0 112.974 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -82.79 -80.97 0.16 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.02 36.24 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.807 2.146 . . . . 0.0 109.3 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -28.15 12.09 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.388 1.875 . . . . 0.0 115.9 -167.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -74.76 144.73 43.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.353 1.433 . . . . 0.0 111.108 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 108.6 4.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -178.35 0.97 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.994 0.517 . . . . 0.0 110.625 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mmt -37.92 129.25 1.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 113.458 -177.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.11 38.0 72.95 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.119 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 52.85 50.87 17.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.15 0.98 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.65 152.74 41.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -63.22 135.8 96.4 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.87 149.19 59.43 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 121.293 1.329 . . . . 0.0 108.73 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.29 -35.72 8.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.122 0.569 . . . . 0.0 111.041 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -47.29 105.4 0.07 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.49 1.116 . . . . 0.0 110.496 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.47 25.6 62.95 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 117.07 -1.961 . . . . 0.0 116.652 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -59.67 -50.68 72.92 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 121.981 2.891 . . . . 0.0 107.796 172.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.43 153.39 5.86 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 128.625 3.012 . . . . 0.0 109.977 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.4 80.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.576 0.751 . . . . 0.0 112.615 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -64.26 -53.15 53.55 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 123.717 0.807 . . . . 0.0 109.1 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -49.63 -60.73 2.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.999 1.72 . . . . 0.0 108.135 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 41.1 mt -54.52 -61.43 2.31 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.552 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.8 -52.14 6.87 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 120.025 1.284 . . . . 0.0 111.725 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -56.72 -50.85 70.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.491 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -60.94 -49.13 78.7 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.188 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -46.16 74.51 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 121.405 1.911 . . . . 0.0 109.669 176.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -60.68 -47.92 84.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.076 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.49 -47.96 56.03 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.572 1.082 . . . . 0.0 111.579 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -62.51 -52.26 64.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.18 64.63 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.903 0.774 . . . . 0.0 112.09 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -70.36 -12.46 61.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.034 1.334 . . . . 0.0 111.76 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.76 21.67 76.59 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 p -93.09 -61.91 1.48 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -79.05 65.82 4.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.19 -151.3 6.96 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.886 1.232 . . . . 0.0 111.371 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.92 107.39 0.58 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.316 0.96 . . . . 0.0 111.056 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.84 -101.18 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.495 1.918 . . . . 0.0 112.823 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -47.94 -37.9 15.43 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.691 1.197 . . . . 0.0 112.113 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -55.03 -22.35 15.35 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.86 1.264 . . . . 0.0 112.294 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.73 -39.84 38.61 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.633 0.651 . . . . 0.0 111.473 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.18 -46.39 87.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 109.609 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 ttm -59.07 -51.15 71.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.215 1.006 . . . . 0.0 108.753 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 m -46.78 -55.46 7.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.366 1.466 . . . . 0.0 109.068 175.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -46.89 81.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.826 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.65 3.44 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.018 0.372 . . . . 0.0 110.823 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.25 -34.98 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 111.689 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.23 -25.92 64.43 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.017 0.826 . . . . 0.0 111.492 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.15 -11.18 60.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.452 0.569 . . . . 0.0 111.867 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.29 141.44 30.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.008 1.323 . . . . 0.0 109.026 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -83.59 166.16 18.42 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 110.185 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.84 -40.67 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.177 -0.952 . . . . 0.0 111.822 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.44 -55.46 25.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.967 0.889 . . . . 0.0 109.549 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -59.57 -47.03 87.14 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.74 -49.27 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.855 0.752 . . . . 0.0 110.451 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -59.78 -42.24 92.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.55 92.55 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.54 -48.55 81.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.811 1.244 . . . . 0.0 107.877 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.88 63.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.902 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -51.34 -52.91 41.31 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.509 0.724 . . . . 0.0 110.709 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -47.02 -68.22 0.21 Allowed 'General case' 0 C--N 1.338 0.087 0 C-N-CA 124.401 1.08 . . . . 0.0 109.745 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.95 -25.27 63.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.844 0.857 . . . . 0.0 113.267 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -83.48 -4.05 58.16 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.566 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -135.54 50.36 2.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -171.407 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 CA-C-O 121.072 0.262 . . . . 0.0 112.618 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -50.76 4.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.171 2.189 . . . . 0.0 112.275 -177.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.09 -35.58 26.01 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.703 1.201 . . . . 0.0 112.328 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.91 -49.41 7.1 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -46.76 -39.97 12.67 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.351 1.06 . . . . 0.0 113.164 -176.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -45.6 -31.63 1.96 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -50.42 16.32 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.87 0.843 . . . . 0.0 109.866 177.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.94 -33.84 67.41 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.024 2.13 . . . . 0.0 110.187 -176.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.1 mt -46.87 -34.78 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.479 0.712 . . . . 0.0 110.592 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.75 -37.6 9.24 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.756 -0.469 . . . . 0.0 112.314 177.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.66 -22.39 11.63 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.518 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -104.1 -19.09 14.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.99 159.76 13.2 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.28 -46.2 35.62 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.913 -0.757 . . . . 0.0 112.72 -177.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -83.67 -6.5 59.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.99 0.916 . . . . 0.0 113.185 -177.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.13 16.24 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 120.655 -1.278 . . . . 0.0 111.674 -175.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -81.64 -32.64 31.79 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.287 1.835 . . . . 0.0 113.059 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -58.31 114.05 2.24 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 123.514 0.726 . . . . 0.0 112.127 -174.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.92 80.67 1.66 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.923 0.889 . . . . 0.0 108.805 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.84 171.55 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.662 1.985 . . . . 0.0 114.387 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.9 mtp -17.74 99.18 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.777 2.431 . . . . 0.0 115.263 -176.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.47 56.07 2.9 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 177.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 45.12 47.68 9.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.025 1.33 . . . . 0.0 112.73 176.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 140.64 42.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.061 0.544 . . . . 0.0 111.652 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 119.73 25.36 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.001 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -53.84 142.37 63.37 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.397 1.398 . . . . 0.0 111.955 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.0 t -77.81 -36.18 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.135 0.974 . . . . 0.0 110.261 -176.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -23.42 90.91 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 0.0 110.588 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 34.44 58.08 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.171 1.843 . . . . 0.0 115.665 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -48.74 -51.7 27.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 123.096 1.427 . . . . 0.0 108.582 175.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.59 130.46 1.12 Allowed Glycine 0 C--O 1.22 -0.777 0 C-N-CA 127.259 2.361 . . . . 0.0 109.126 172.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.3 -43.47 4.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.574 2.187 . . . . 0.0 113.132 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.87 -48.98 69.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.216 0.462 . . . . 0.0 110.421 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.12 -56.19 22.61 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 125.074 1.349 . . . . 0.0 108.647 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.86 -60.22 3.3 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 126.317 1.847 . . . . 0.0 109.049 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -46.66 -54.83 8.78 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.164 0.893 . . . . 0.0 111.782 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -54.77 -46.76 74.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.023 0.202 . . . . 0.0 111.167 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -61.59 -56.29 21.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.161 179.203 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -43.85 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 121.213 1.824 . . . . 0.0 111.3 177.483 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -58.71 -46.71 86.7 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.96 -48.54 81.79 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.785 1.183 . . . . 0.0 111.645 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -58.39 -57.6 12.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.596 1.159 . . . . 0.0 108.225 177.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.91 69.68 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.194 0.598 . . . . 0.0 111.33 -179.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.71 -33.89 76.02 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.385 0.674 . . . . 0.0 110.913 178.325 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.82 19.75 30.67 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.206 0.907 . . . . 0.0 111.515 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -57.24 2.81 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -78.8 63.22 3.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.63 131.41 2.35 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.377 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.56 148.74 20.66 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 107.315 -2.314 . . . . 0.0 107.315 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 37.0 -103.78 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.232 2.213 . . . . 0.0 113.032 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -47.96 -36.55 12.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.684 1.194 . . . . 0.0 112.681 -177.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -66.4 -12.98 59.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.64 -40.5 53.33 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.188 0.595 . . . . 0.0 111.297 177.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.8 mtt -54.91 -57.34 12.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.28 0.632 . . . . 0.0 110.224 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' HG22 ' A' ' 61' ' ' VAL . 46.8 mtm -61.76 -45.85 92.11 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.513 0.725 . . . . 0.0 110.244 178.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.0 m -46.46 -48.01 19.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.528 0.731 . . . . 0.0 109.495 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -46.2 56.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.787 176.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -63.95 1.01 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.555 0.616 . . . . 0.0 112.544 -176.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 57' ' ' MET . 4.3 m -62.51 -26.21 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.622 -0.674 . . . . 0.0 111.729 -178.013 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -62.05 -21.98 65.37 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.924 0.784 . . . . 0.0 110.837 176.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.07 -20.44 60.96 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.841 0.746 . . . . 0.0 111.017 176.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.17 178.11 5.84 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.853 1.261 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.2 p -125.65 167.49 15.03 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.757 0.823 . . . . 0.0 110.127 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -44.2 -46.89 9.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.008 0.923 . . . . 0.0 113.355 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.58 -54.03 25.82 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-O 121.659 0.742 . . . . 0.0 109.996 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.05 -55.91 28.64 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.158 1.383 . . . . 0.0 109.393 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -51.52 -51.73 52.85 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.354 0.409 . . . . 0.0 110.957 -178.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -57.2 -48.44 78.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.31 72.4 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -50.86 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.22 69.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.203 174.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.37 -53.64 54.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.493 0.317 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -54.37 -55.13 31.66 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 110.65 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 mtm -61.95 -25.75 67.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -83.09 6.94 17.34 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.719 175.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -143.3 50.0 1.41 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.399 -2.075 . . . . 0.0 105.399 179.201 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -172.695 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.316 0 N-CA-C 114.59 0.596 . . . . 0.0 114.59 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.34 -46.8 55.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.509 1.124 . . . . 0.0 112.977 -176.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.61 73.98 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.54 -42.29 70.74 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.581 1.552 . . . . 0.0 109.865 -178.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -48.43 -29.15 3.77 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.206 1.002 . . . . 0.0 113.268 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -54.21 -37.31 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.34 -0.85 . . . . 0.0 110.58 177.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -91.92 37.35 0.97 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.6 0.76 . . . . 0.0 110.839 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.24 -32.91 0.7 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.34 1.456 . . . . 0.0 112.274 -174.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.4 153.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.683 1.593 . . . . 0.0 109.36 174.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.14 -54.91 4.93 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-O 118.564 -1.131 . . . . 0.0 110.298 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.2 -40.51 44.89 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.697 1.749 . . . . 0.0 107.815 178.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.553 ' CE1' HG21 ' A' ' 29' ' ' VAL . 96.6 m-70 -104.11 11.74 34.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.044 0.938 . . . . 0.0 111.641 177.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.56 -102.53 1.51 Allowed Glycine 0 C--N 1.335 0.491 0 N-CA-C 107.29 -2.324 . . . . 0.0 107.29 174.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.48 30.27 1.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -161.16 -103.17 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -173.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.66 31.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.814 1.197 . . . . 0.0 111.66 177.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 m -90.68 -44.66 9.35 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 117.728 0.764 . . . . 0.0 111.343 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 150.45 48.54 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 130.63 39.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.54 -122.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.746 0.818 . . . . 0.0 110.143 -178.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.5 mtt -69.35 75.75 0.37 Allowed 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.642 -0.661 . . . . 0.0 109.796 177.201 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 -173.8 55.08 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -40.92 101.92 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.725 2.01 . . . . 0.0 112.91 -178.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.15 133.66 37.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.742 1.217 . . . . 0.0 107.724 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -58.17 123.39 64.96 Favored Pre-proline 0 N--CA 1.432 -1.33 0 C-N-CA 125.348 1.459 . . . . 0.0 109.075 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.56 134.82 47.26 Favored 'Trans proline' 0 N--CA 1.45 -1.029 0 C-N-CA 121.945 1.763 . . . . 0.0 109.875 175.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 14' ' ' HIS . 33.6 t -85.26 -36.8 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.871 1.268 . . . . 0.0 110.217 -175.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -43.96 101.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.792 1.237 . . . . 0.0 110.131 -179.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.65 40.55 99.3 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 117.19 1.636 . . . . 0.0 117.19 176.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -57.94 -58.62 7.61 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.272 2.036 . . . . 0.0 108.27 172.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.12 137.75 2.26 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.492 2.472 . . . . 0.0 108.592 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.12 64.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.708 1.754 . . . . 0.0 112.561 -176.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.59 -54.87 40.16 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.495 0.589 . . . . 0.0 110.128 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -48.21 -57.97 5.17 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.487 1.515 . . . . 0.0 108.411 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.26 -68.09 0.2 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 113.646 -1.615 . . . . 0.0 109.129 179.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -38.18 -61.72 0.64 Allowed 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.977 1.711 . . . . 0.0 111.81 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -53.7 -42.1 67.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.949 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -75.9 -44.15 41.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.445 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -37.65 85.15 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.034 1.743 . . . . 0.0 109.36 174.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -63.18 -46.96 84.64 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.21 -50.04 41.59 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.037 1.303 . . . . 0.0 110.695 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -62.36 -57.97 9.39 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.453 0.701 . . . . 0.0 109.483 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.83 66.91 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.636 -0.665 . . . . 0.0 112.51 -179.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.95 -22.64 63.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.448 1.099 . . . . 0.0 111.346 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.22 20.08 63.39 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.603 0.621 . . . . 0.0 111.657 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -90.79 -52.09 5.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.25 147.91 27.71 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.43 -172.63 40.25 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.463 1.029 . . . . 0.0 111.657 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.04 162.34 22.15 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.485 -2.646 . . . . 0.0 106.485 -179.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.72 -54.29 19.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.953 1.377 . . . . 0.0 112.429 -176.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -59.7 -23.56 63.23 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.055 0.542 . . . . 0.0 112.311 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.83 1.9 54.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 111.268 -176.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.6 -51.4 70.06 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.608 1.095 . . . . 0.0 111.785 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.8 ttm -57.19 -50.33 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 ttp -54.49 -50.35 68.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.339 0.655 . . . . 0.0 109.915 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -50.83 -52.93 36.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.885 0.874 . . . . 0.0 108.814 178.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -43.52 95.11 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.603 178.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -51.3 67.73 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.588 0.631 . . . . 0.0 110.416 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.13 -23.45 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.035 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -54.68 -33.86 61.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.576 1.08 . . . . 0.0 109.981 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -64.91 -22.49 67.0 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 123.907 0.883 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 131.11 34.84 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.913 1.285 . . . . 0.0 112.566 -174.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -76.72 174.25 10.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -55.45 -46.59 76.77 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.14 -0.975 . . . . 0.0 110.965 179.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 1.9 mp0 -52.31 -53.19 47.37 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.209 1.403 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.056 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.72 -45.95 85.06 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.491 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -59.73 -45.11 93.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.58 78.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.197 -0.315 . . . . 0.0 111.839 178.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.59 -52.83 61.83 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.51 62.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.639 176.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.82 -50.64 63.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.724 0.41 . . . . 0.0 110.648 178.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -53.73 -58.45 7.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.156 0.982 . . . . 0.0 110.235 178.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.1 mmt -56.15 -34.8 66.48 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.018 0.927 . . . . 0.0 111.29 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -82.05 9.54 8.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 117.766 -1.111 . . . . 0.0 113.349 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.77 38.89 1.49 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 178.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.431 -1.423 0 C-N-CA 125.979 1.712 . . . . 0.0 108.152 -174.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.844 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.64 44.45 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.569 0.748 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.87 84.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.597 0.359 . . . . 0.0 111.106 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.08 -44.61 95.28 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 125.547 1.539 . . . . 0.0 110.788 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.14 -40.95 67.88 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -31.22 -56.64 0.24 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.115 1.366 . . . . 0.0 113.414 -177.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -61.41 -40.39 94.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.24 -28.1 67.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.743 1.617 . . . . 0.0 110.953 -175.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.0 -35.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 C-N-CA 123.862 0.865 . . . . 0.0 109.329 175.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.56 -41.47 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.651 178.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.3 m -106.62 -33.18 7.73 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.073 0.937 . . . . 0.0 111.745 -178.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -95.42 -26.57 15.81 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.021 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.55 170.05 46.04 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -177.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -65.28 0.58 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 -177.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.68 34.3 0.49 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.074 0.55 . . . . 0.0 110.711 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.35 36.67 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.439 1.971 . . . . 0.0 113.893 -178.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -98.72 -25.07 14.8 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -168.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -79.8 37.67 0.36 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.996 1.725 . . . . 0.0 112.916 -172.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.74 -113.91 0.82 Allowed 'General case' 0 C--N 1.342 0.239 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.25 168.8 2.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.057 2.943 . . . . 0.0 106.603 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -42.9 108.89 0.11 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.061 1.345 . . . . 0.0 111.965 -177.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.86 -97.42 1.14 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 -178.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -159.22 137.91 10.89 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.54 152.65 10.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -58.61 118.49 28.87 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 172.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.39 144.56 95.18 Favored 'Trans proline' 0 N--CA 1.444 -1.44 0 N-CA-C 107.519 -1.762 . . . . 0.0 107.519 179.255 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 t -66.84 -37.05 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -27.12 98.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.961 2.504 . . . . 0.0 111.285 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 36.91 37.96 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.977 2.227 . . . . 0.0 114.849 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.319 3.7 pt20 -61.74 -34.24 75.47 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.585 1.693 . . . . 0.0 111.289 -177.101 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.15 123.4 1.26 Allowed Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.227 1.87 . . . . 0.0 112.127 170.081 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.7 -42.97 26.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.358 2.079 . . . . 0.0 112.324 178.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.53 -55.4 35.08 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -45.48 -61.01 1.86 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.919 2.088 . . . . 0.0 108.871 177.672 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.75 -62.62 1.54 Allowed 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 128.109 2.564 . . . . 0.0 109.171 -178.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -43.56 -59.06 2.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.439 1.096 . . . . 0.0 111.376 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -50.69 -49.05 58.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.028 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -68.18 -46.48 70.58 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.344 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -35.36 79.29 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 120.866 1.666 . . . . 0.0 110.023 175.218 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -61.49 -47.29 86.31 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.86 -53.07 31.54 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.86 1.219 . . . . 0.0 110.99 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -64.58 -49.16 72.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.704 0.802 . . . . 0.0 110.872 -179.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.42 90.85 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.644 -0.66 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.62 -37.96 80.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.102 0.561 . . . . 0.0 110.351 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 11.65 34.97 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.608 1.099 . . . . 0.0 111.327 -178.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.88 60.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.07 144.97 27.0 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.69 -172.45 41.17 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.17 163.05 12.98 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 -179.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -46.95 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.868 0.834 . . . . 0.0 112.082 -178.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -70.24 -26.98 64.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.047 0.539 . . . . 0.0 111.744 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -80.38 -25.56 39.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.581 0.752 . . . . 0.0 110.658 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -33.58 -53.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.643 1.577 . . . . 0.0 115.211 -176.209 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 94.3 mtp -54.2 -59.29 4.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.67 0.747 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.7 ttp -55.99 -44.59 78.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.352 1.061 . . . . 0.0 109.974 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 m -55.65 -52.41 63.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -40.33 93.44 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 119.2 -0.429 . . . . 0.0 109.993 178.238 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -56.78 17.44 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.442 0.565 . . . . 0.0 109.815 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.89 -25.95 38.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.826 -0.547 . . . . 0.0 111.447 179.189 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.29 -27.22 61.95 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.306 0.957 . . . . 0.0 110.261 176.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -73.33 -17.34 61.31 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.196 0.453 . . . . 0.0 111.98 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.16 -161.08 0.5 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.395 1.478 . . . . 0.0 110.419 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -146.49 -77.41 0.18 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -153.75 -51.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.519 0.328 . . . . 0.0 111.753 -176.066 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.38 -49.74 66.57 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.603 1.192 . . . . 0.0 107.986 177.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -50.83 -57.39 8.54 Favored 'General case' 0 N--CA 1.424 -1.752 0 C-N-CA 128.143 2.577 . . . . 0.0 109.728 177.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.27 -50.08 72.39 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.575 1.15 . . . . 0.0 111.198 -178.028 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.7 -48.24 81.79 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.92 78.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.9 tp -70.37 -48.74 54.87 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.48 -52.84 52.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.999 0.52 . . . . 0.0 111.173 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -56.61 -54.99 39.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.31 -0.243 . . . . 0.0 110.68 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -53.24 -51.26 62.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.331 0.586 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.3 mtp -60.76 -29.98 69.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.413 1.085 . . . . 0.0 111.784 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -76.24 2.79 12.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.339 175.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -130.18 38.63 3.76 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 -175.322 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.78 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.75 -51.5 69.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.946 0.898 . . . . 0.0 111.287 -178.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.61 61.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.559 0.743 . . . . 0.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 6' ' ' LEU . 4.8 mp -79.1 -59.25 2.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.184 0.994 . . . . 0.0 108.499 178.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -43.41 -45.93 6.44 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.933 1.693 . . . . 0.0 113.161 -176.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -31.96 2.55 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.98 -45.03 28.82 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.052 0.929 . . . . 0.0 110.632 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -58.41 -31.9 68.14 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.72 2.008 . . . . 0.0 110.183 -175.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.9 mt -44.02 -36.08 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.62 1.168 . . . . 0.0 110.928 174.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.57 -42.76 14.48 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 118.245 0.475 . . . . 0.0 112.111 178.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.7 m -99.11 -34.71 10.28 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 117.282 0.541 . . . . 0.0 110.999 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.435 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 72.8 m-70 -81.9 -33.13 30.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -172.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.35 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.014 0 CA-C-N 119.48 1.036 . . . . 0.0 113.427 175.294 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.47 -110.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.239 1.815 . . . . 0.0 111.82 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.58 -12.31 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.362 1.065 . . . . 0.0 111.876 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 101.83 41.04 2.56 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.165 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -87.93 -32.63 18.81 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 126.552 1.941 . . . . 0.0 114.8 -172.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -76.75 139.35 40.4 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.582 -175.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 102.29 3.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -175.49 0.12 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.649 0.78 . . . . 0.0 112.058 -178.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt -30.91 119.66 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.355 1.862 . . . . 0.0 113.625 -176.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 39.58 63.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.182 0.896 . . . . 0.0 112.644 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m 52.26 52.8 13.54 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.122 0.969 . . . . 0.0 111.094 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.5 149.87 49.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.005 0.922 . . . . 0.0 112.447 -177.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -54.35 118.58 16.72 Favored Pre-proline 0 N--CA 1.447 -0.583 0 C-N-CA 124.593 1.157 . . . . 0.0 108.605 173.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.72 148.8 72.31 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 CA-C-N 120.065 1.059 . . . . 0.0 110.547 177.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -76.49 -41.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.144 -177.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -19.98 85.84 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 0 C-N-CA 127.387 2.275 . . . . 0.0 113.328 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.78 54.87 4.14 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.758 1.647 . . . . 0.0 115.795 179.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -49.03 -52.88 22.75 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.008 1.385 . . . . 0.0 109.174 174.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 137.24 2.23 Favored Glycine 0 C--O 1.222 -0.655 0 CA-C-N 112.389 -2.187 . . . . 0.0 109.484 174.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.76 14.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.091 1.946 . . . . 0.0 112.314 -178.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -57.52 -56.26 24.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.714 0.805 . . . . 0.0 109.61 178.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.92 -59.05 5.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.111 1.364 . . . . 0.0 109.387 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -53.62 -49.16 68.44 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.879 1.271 . . . . 0.0 110.866 -177.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -56.73 -60.46 3.52 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.183 0.593 . . . . 0.0 110.484 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -54.82 -47.82 73.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.109 -176.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.06 -41.6 77.37 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.638 -0.664 . . . . 0.0 111.035 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.441 ' SD ' HD13 ' A' ' 69' ' ' LEU 0.262 3.6 ppp? -68.08 -39.16 82.96 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.031 0.832 . . . . 0.0 110.361 179.34 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.03 -45.55 86.77 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.65 -61.01 3.08 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.905 2.193 . . . . 0.0 111.374 174.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -61.97 -52.8 62.55 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 109.659 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.96 65.49 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.609 0.764 . . . . 0.0 111.891 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -86.52 11.17 13.25 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.077 0.551 . . . . 0.0 111.168 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.33 33.43 11.33 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.436 1.017 . . . . 0.0 112.008 -178.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -108.53 -54.97 2.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.789 0.836 . . . . 0.0 108.757 -176.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.5 95.72 8.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 175.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.37 -176.97 45.88 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 118.592 -1.766 . . . . 0.0 113.507 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.94 171.62 44.66 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 107.189 -2.364 . . . . 0.0 107.189 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -41.99 -57.69 2.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.888 1.275 . . . . 0.0 112.36 -177.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.91 -27.41 12.9 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.994 1.318 . . . . 0.0 113.975 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -87.42 -27.11 22.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.254 1.022 . . . . 0.0 111.285 -177.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -26.9 -55.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.999 2.12 . . . . 0.0 116.22 -173.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -53.14 -55.26 25.51 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 109.808 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 ttp -61.26 -49.79 75.65 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.79 178.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -45.91 -55.59 6.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.9 97.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.532 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.73 -59.6 4.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.6 0.636 . . . . 0.0 110.71 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.7 -29.71 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.861 -0.524 . . . . 0.0 111.63 -179.227 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -56.4 -25.17 49.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.098 0.863 . . . . 0.0 111.09 176.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -75.7 -18.72 59.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.825 0.738 . . . . 0.0 112.386 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 144.78 29.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.432 1.093 . . . . 0.0 110.382 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 p -84.32 171.93 12.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.637 1.175 . . . . 0.0 110.091 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.33 -41.87 76.76 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.434 -0.791 . . . . 0.0 111.402 178.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -55.73 -52.25 64.54 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 121.592 0.711 . . . . 0.0 109.607 178.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.54 -41.51 90.23 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.164 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD13 ' SD ' ' A' ' 41' ' ' MET . 0.8 OUTLIER -59.0 -53.95 52.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.6 0.636 . . . . 0.0 109.985 -179.508 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -54.9 -45.58 74.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.78 85.24 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.58 -0.724 . . . . 0.0 112.362 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -51.29 67.7 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.7 50.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.063 178.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -53.7 -55.34 27.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -53.09 -58.42 7.07 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.515 0.726 . . . . 0.0 110.859 -179.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtm -55.92 -36.59 67.88 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 123.65 0.78 . . . . 0.0 111.129 -179.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -63.77 -7.31 7.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.955 179.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -100.74 -4.93 27.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.675 1.125 . . . . 0.0 111.493 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.426 -1.65 0 C-N-CA 124.787 1.235 . . . . 0.0 111.519 -177.094 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.29 0 N-CA-C 114.56 0.584 . . . . 0.0 114.56 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.74 60.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.832 1.316 . . . . 0.0 111.188 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.96 86.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.937 0.895 . . . . 0.0 111.167 178.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.32 -50.36 60.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.69 -45.08 19.2 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.744 0.818 . . . . 0.0 112.787 -176.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -43.91 -36.62 2.48 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.374 1.07 . . . . 0.0 113.266 179.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -78.98 -46.04 19.06 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.922 0.867 . . . . 0.0 110.021 176.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.38 -32.92 27.71 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.914 2.886 . . . . 0.0 111.261 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -44.06 -38.0 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.522 1.129 . . . . 0.0 110.103 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.3 -34.61 4.7 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.354 178.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' HB1' ' A' ' 22' ' ' ALA . 6.3 t -116.07 -30.59 5.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.081 0.94 . . . . 0.0 111.941 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -94.21 -12.14 28.86 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -175.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.96 -167.87 50.82 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 177.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.81 -85.43 0.06 Allowed 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 122.266 -0.549 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -81.41 52.43 1.85 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 126.086 1.754 . . . . 0.0 111.359 -176.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.55 4.49 0.01 OUTLIER Glycine 0 CA--C 1.54 1.617 0 C-N-CA 129.309 3.338 . . . . 0.0 119.375 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.7 m -84.66 49.47 1.71 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 126.698 1.999 . . . . 0.0 110.758 -175.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 2.2 pttp -80.15 169.34 17.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -175.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 84.22 2.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 101.877 -3.379 . . . . 0.0 101.877 169.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.606 ' HB1' ' SG ' ' A' ' 13' ' ' CYS . . . -65.58 -175.13 0.24 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.023 1.329 . . . . 0.0 111.529 -175.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 58.0 mtt -64.63 87.06 0.05 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.14 0.882 . . . . 0.0 109.571 176.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.17 144.77 16.53 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.523 2.011 . . . . 0.0 108.364 -174.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 t -50.66 139.53 16.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.762 0.781 . . . . 0.0 110.933 -179.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.31 158.58 27.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.365 0.666 . . . . 0.0 109.906 -176.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -59.1 117.8 24.62 Favored Pre-proline 0 N--CA 1.438 -1.03 0 C-N-CA 125.615 1.566 . . . . 0.0 109.42 177.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.57 146.81 94.16 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.232 1.288 . . . . 0.0 110.251 176.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.17 -32.3 19.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.463 -177.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -23.17 96.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.752 2.021 . . . . 0.0 112.354 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.99 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.886 2.184 . . . . 0.0 115.378 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -53.48 -56.97 12.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.854 1.827 . . . . 0.0 109.732 177.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 147.02 4.77 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 112.561 -2.109 . . . . 0.0 109.715 175.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.58 88.99 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 118.838 1.319 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.78 -50.59 70.42 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -47.62 -57.52 5.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.841 1.257 . . . . 0.0 109.412 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.6 mt -60.04 -53.34 58.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.485 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -44.59 -58.3 3.1 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.25 1.02 . . . . 0.0 111.261 178.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -50.97 -48.17 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.613 178.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.36 -44.95 86.05 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.765 178.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.3 mmm -54.08 -48.52 70.57 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.873 2.124 . . . . 0.0 109.207 176.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -58.45 -48.58 80.26 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.03 -49.75 35.33 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 125.652 1.596 . . . . 0.0 111.436 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' THR . 39.4 m-85 -64.28 -62.28 1.71 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.62 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.71 -48.55 20.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.859 1.264 . . . . 0.0 113.872 -176.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -78.11 0.39 24.97 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.31 43.28 46.99 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.827 0.727 . . . . 0.0 113.331 176.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -115.19 -59.14 2.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.896 0.848 . . . . 0.0 108.893 175.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -76.7 57.37 1.26 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.648 0.779 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.04 46.92 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 120.967 -1.083 . . . . 0.0 112.501 -178.215 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.64 -56.01 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -179.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -84.8 -127.63 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.059 0.944 . . . . 0.0 108.935 -178.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -48.54 -36.4 15.34 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.079 1.308 . . . . 0.0 111.496 177.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.08 -26.17 1.73 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.979 2.112 . . . . 0.0 112.181 177.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.52 79.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 111.869 176.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.58 -55.03 31.01 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.928 0.87 . . . . 0.0 108.999 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ttp -54.15 -44.81 71.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.639 1.176 . . . . 0.0 109.523 177.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 44' ' ' TYR . 32.6 m -54.32 -54.11 44.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.984 0.914 . . . . 0.0 108.912 176.189 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.68 76.63 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.478 0.581 . . . . 0.0 110.273 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.11 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.111 0.414 . . . . 0.0 110.629 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.57 -33.23 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.933 -0.48 . . . . 0.0 111.689 -177.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.88 -24.12 65.71 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.269 -0.895 . . . . 0.0 111.482 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -78.33 -5.21 51.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.586 0.63 . . . . 0.0 111.796 177.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.46 -167.69 1.44 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.838 1.255 . . . . 0.0 110.516 177.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -147.63 161.08 41.88 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -37.3 -53.79 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.918 -175.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -50.68 -51.44 49.37 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 123.921 0.889 . . . . 0.0 109.75 178.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.383 -176.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.55 -54.28 45.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -57.26 -46.36 83.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.12 80.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.329 179.505 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.93 -52.92 57.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.33 54.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.247 0.342 . . . . 0.0 110.682 178.267 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.21 -56.93 15.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.578 0.351 . . . . 0.0 111.306 178.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -56.22 -54.3 46.85 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.522 0.677 . . . . 0.0 110.791 -177.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.51 -30.38 68.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.321 1.048 . . . . 0.0 112.42 177.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -77.97 8.25 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.531 -0.731 . . . . 0.0 111.516 174.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -137.07 40.52 2.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -175.489 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 CA-C-O 119.659 -0.523 . . . . 0.0 113.411 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.92 51.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.08 0.94 . . . . 0.0 111.035 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.03 -47.55 68.29 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.642 0.377 . . . . 0.0 110.166 178.577 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.41 -53.72 54.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -50.69 -36.16 34.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.239 1.015 . . . . 0.0 113.293 -176.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -45.79 -41.36 10.81 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.412 0.551 . . . . 0.0 111.411 177.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.16 -39.08 85.13 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 111.638 179.269 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.34 -29.11 53.31 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.603 1.961 . . . . 0.0 111.71 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.1 mt -45.5 -39.1 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 123.639 0.776 . . . . 0.0 110.006 177.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.87 -35.96 6.41 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.141 0.876 . . . . 0.0 113.553 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.558 ' SG ' ' HB1' ' A' ' 22' ' ' ALA . 21.7 t -110.12 -33.42 6.68 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 118.352 1.076 . . . . 0.0 112.122 -179.079 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 29' ' ' VAL . 57.9 m-70 -93.27 -32.32 14.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -174.124 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.67 162.83 36.77 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.63 -58.53 5.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.155 0.582 . . . . 0.0 111.027 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.66 32.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 112.49 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 31.06 60.81 0.24 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 126.964 2.221 . . . . 0.0 114.38 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.0 m -142.01 -9.56 0.89 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.032 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -72.55 160.86 31.58 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 120.975 1.716 . . . . 0.0 110.976 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 91.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.4 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB1' ' SG ' ' A' ' 13' ' ' CYS . . . -56.05 168.03 0.54 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.716 0.806 . . . . 0.0 110.188 174.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 46.3 mtt -56.18 122.02 10.79 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.506 -178.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.53 73.13 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.384 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 65.93 165.67 0.19 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 0.0 113.563 178.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.98 157.06 6.41 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.409 1.084 . . . . 0.0 109.42 -178.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -64.54 146.09 98.3 Favored Pre-proline 0 C--N 1.342 0.271 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 169.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.2 141.45 57.17 Favored 'Trans proline' 0 N--CA 1.439 -1.712 0 N-CA-C 108.077 -1.547 . . . . 0.0 108.077 176.348 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 14' ' ' HIS . 11.0 t -80.85 -27.89 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.786 1.234 . . . . 0.0 108.587 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -27.64 95.66 0.01 OUTLIER 'General case' 0 C--N 1.343 0.297 0 C-N-CA 127.754 2.422 . . . . 0.0 111.015 177.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 35.71 52.51 1.11 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 127.05 2.262 . . . . 0.0 115.501 -179.243 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -50.6 -54.01 26.07 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 123.367 1.556 . . . . 0.0 109.157 176.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.89 150.4 5.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 128.103 2.764 . . . . 0.0 109.132 173.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.66 99.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.925 0.862 . . . . 0.0 111.77 -178.289 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -59.69 -55.35 35.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -49.57 -60.83 2.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.42 1.488 . . . . 0.0 109.312 177.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.8 mt -56.73 -44.46 81.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.706 1.202 . . . . 0.0 111.222 -177.617 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.44 -55.37 35.91 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.209 0.913 . . . . 0.0 109.885 178.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -53.7 -55.53 25.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.85 -49.82 76.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.354 1.062 . . . . 0.0 111.614 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.403 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.3 ppp? -65.88 -37.04 85.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 110.96 -178.373 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.63 -42.93 98.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 172.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.19 -51.03 49.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 176.558 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.68 -55.77 30.82 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.894 0.878 . . . . 0.0 109.571 176.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 61' ' ' VAL . . . -52.83 -45.82 67.47 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.413 0.685 . . . . 0.0 111.779 -179.135 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.86 -41.47 95.64 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.716 0.807 . . . . 0.0 109.873 177.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 17.9 17.91 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.788 1.185 . . . . 0.0 111.542 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.53 -57.99 2.74 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.012 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -75.68 69.07 2.35 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.51 -174.48 33.41 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 119.278 0.945 . . . . 0.0 112.537 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.63 162.96 10.15 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.323 1.916 . . . . 0.0 108.965 -176.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 49.32 -131.89 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.391 1.077 . . . . 0.0 109.947 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -52.41 -31.85 36.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 126.95 2.1 . . . . 0.0 111.932 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.8 -10.1 25.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.167 0.587 . . . . 0.0 111.076 -175.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.71 82.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.746 0.703 . . . . 0.0 109.938 171.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttm -61.36 -56.65 17.96 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.9 ttp -53.01 -48.84 67.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.29 1.436 . . . . 0.0 109.254 178.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 m -50.52 -57.67 7.56 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.694 1.198 . . . . 0.0 109.516 176.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -40.71 86.7 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.547 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -57.88 11.0 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.304 0.502 . . . . 0.0 110.551 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 57' ' ' MET . 15.3 m -67.12 -25.17 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.514 -0.741 . . . . 0.0 112.206 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -54.76 -30.44 56.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.688 1.131 . . . . 0.0 109.863 176.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -69.16 -19.47 64.01 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.78 139.48 31.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.38 1.072 . . . . 0.0 111.784 -175.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.1 t -87.84 168.27 13.07 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.066 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -47.8 -45.79 29.94 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.038 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -54.28 -50.45 67.24 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.584 1.153 . . . . 0.0 110.581 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -64.99 -48.01 75.51 Favored 'General case' 0 N--CA 1.426 -1.628 0 C-N-CA 124.935 1.294 . . . . 0.0 109.569 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 HD22 ' SD ' ' A' ' 41' ' ' MET . 95.1 mt -51.76 -56.16 15.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.972 0.909 . . . . 0.0 109.575 178.051 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -53.88 -51.0 65.06 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.207 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.97 73.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -45.5 77.22 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.24 49.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.412 0.285 . . . . 0.0 110.35 176.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -51.83 -46.03 64.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.188 0.595 . . . . 0.0 110.575 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.88 -60.71 3.36 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.832 -0.542 . . . . 0.0 109.958 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.5 mtm -52.49 -30.23 29.02 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.734 0.813 . . . . 0.0 112.321 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -66.41 -18.2 65.22 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -131.87 57.72 1.76 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -177.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 26.5 tp . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -172.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.165 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 -64.44 0.95 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -175.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.5 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 123.224 0.61 . . . . 0.0 112.502 -177.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.53 -57.91 3.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 175.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -52.77 -27.03 16.09 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.561 1.544 . . . . 0.0 114.532 -175.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -54.67 -29.0 51.48 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.853 0.751 . . . . 0.0 110.726 176.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.6 2.39 33.53 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 -178.583 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -124.81 -37.54 2.46 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.3 1.44 . . . . 0.0 111.092 -173.645 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.4 pt -45.22 -37.73 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.412 178.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.98 -35.08 17.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.552 0.596 . . . . 0.0 112.319 179.303 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -109.95 -30.07 7.97 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 117.702 0.751 . . . . 0.0 111.999 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CE1' HG23 ' A' ' 29' ' ' VAL . 35.4 m-70 -87.74 -23.96 23.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -176.585 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 175.13 37.75 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.27 20.79 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.549 1.14 . . . . 0.0 113.033 -176.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.25 69.45 1.46 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -177.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.42 35.2 2.7 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.473 1.511 . . . . 0.0 112.199 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.13 -39.77 22.82 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.164 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -97.28 152.04 19.27 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -173.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.18 92.38 0.55 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.083 0.953 . . . . 0.0 108.561 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.31 142.82 5.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.649 0.78 . . . . 0.0 111.176 179.63 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 41.3 mtt 50.92 21.05 0.88 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.755 1.222 . . . . 0.0 112.644 -173.576 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.25 18.99 56.74 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.264 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -171.57 80.78 0.07 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.649 1.224 . . . . 0.0 108.376 -177.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -168.92 151.54 4.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -67.8 120.93 77.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 171.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.58 140.61 75.53 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 N-CA-C 108.631 -1.334 . . . . 0.0 108.631 176.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 14' ' ' HIS . 2.0 t -52.28 -45.1 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.655 -178.551 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 5.13 65.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 129.151 2.981 . . . . 0.0 113.399 -177.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.96 57.14 2.06 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.412 1.958 . . . . 0.0 115.014 -178.069 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -37.79 -59.08 0.85 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.823 1.297 . . . . 0.0 111.697 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.79 148.09 5.86 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 127.561 2.505 . . . . 0.0 107.102 177.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.908 1.854 . . . . 0.0 111.779 -177.084 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.58 -54.88 41.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.985 0.514 . . . . 0.0 109.71 178.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -49.29 -60.87 2.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.164 1.386 . . . . 0.0 109.032 178.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.36 -61.0 2.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.844 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -45.48 -52.87 9.65 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.108 0.867 . . . . 0.0 112.187 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.85 -41.38 82.25 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.25 0.22 . . . . 0.0 110.864 178.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -72.41 -45.71 58.45 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.3 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.47 92.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 121.918 2.145 . . . . 0.0 109.366 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -60.01 -42.3 94.0 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.35 -62.07 2.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 127.321 2.391 . . . . 0.0 110.101 173.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 22.9 m-85 -61.04 -48.47 81.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 113.96 -1.12 . . . . 0.0 110.371 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.11 73.9 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.675 0.67 . . . . 0.0 111.489 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.72 -32.64 63.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.238 0.615 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.3 -9.52 69.6 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.839 0.733 . . . . 0.0 112.07 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -65.36 -54.65 25.73 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.18 0.992 . . . . 0.0 108.826 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 17.9 t80 -64.96 -29.4 70.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.467 1.127 . . . . 0.0 112.191 178.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.83 62.98 0.91 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 127.152 2.311 . . . . 0.0 114.516 -177.583 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.96 118.9 12.04 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.879 1.228 . . . . 0.0 112.005 178.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 35.93 -92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.679 2.392 . . . . 0.0 113.791 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -49.24 -37.56 23.75 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 124.472 1.109 . . . . 0.0 111.95 -178.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -71.51 -6.86 43.69 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.696 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.97 -38.42 62.11 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.526 0.731 . . . . 0.0 111.1 176.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.2 ttm -56.22 -49.2 74.79 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.097 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttm -61.36 -46.46 90.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.208 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -49.14 -55.28 12.83 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.26 0.624 . . . . 0.0 109.594 175.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -37.86 87.22 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.286 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.47 -56.21 22.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.414 0.552 . . . . 0.0 110.243 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.87 -28.74 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.505 -0.747 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.03 -22.18 60.27 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.715 0.689 . . . . 0.0 110.971 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -66.6 -21.6 66.13 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.111 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.77 163.98 12.95 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.047 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -113.98 167.81 10.34 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.457 1.103 . . . . 0.0 109.855 179.063 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -44.74 -47.08 10.75 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.12 0.968 . . . . 0.0 113.332 -175.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.9 -46.99 78.24 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.55 0.69 . . . . 0.0 110.935 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.32 -51.22 68.53 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.219 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -49.06 -52.16 27.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.043 0.537 . . . . 0.0 110.839 178.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -57.97 -49.06 78.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.082 0.468 . . . . 0.0 109.773 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.88 70.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.54 -48.98 52.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -178.513 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -56.41 16.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.08 173.153 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -54.19 -47.27 72.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.725 0.41 . . . . 0.0 111.698 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.09 -58.35 9.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.443 0.697 . . . . 0.0 109.976 178.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.7 mtm -56.96 -30.91 64.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -177.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 m -54.58 -18.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.155 0.889 . . . . 0.0 113.141 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -93.49 1.6 56.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.702 -178.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.429 -1.512 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.074 -177.371 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 115.022 0.769 . . . . 0.0 115.022 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.83 -37.75 44.81 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.061 0.931 . . . . 0.0 111.676 177.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -53.38 24.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.8 -40.28 41.09 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.103 1.361 . . . . 0.0 112.002 -177.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -38.94 -39.75 0.57 Allowed 'General case' 0 C--N 1.339 0.11 0 C-N-CA 125.642 1.577 . . . . 0.0 112.854 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -37.12 4.19 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.169 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -69.09 -21.62 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.689 1.196 . . . . 0.0 113.153 -178.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.4 -16.57 27.18 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.166 1.787 . . . . 0.0 111.981 -175.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -52.2 159.03 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.142 0.977 . . . . 0.0 108.964 175.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.38 -56.42 4.51 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -176.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.78 -46.57 16.74 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.312 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -97.58 -6.37 33.56 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.01 170.41 13.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 121.273 -0.892 . . . . 0.0 111.911 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.64 73.41 2.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.498 0.719 . . . . 0.0 109.647 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t0 72.39 97.58 0.07 Allowed 'General case' 0 C--N 1.338 0.066 0 C-N-CA 126.746 2.019 . . . . 0.0 110.611 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.71 -32.86 0.17 Allowed Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.972 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t 61.98 56.44 2.32 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.069 1.748 . . . . 0.0 111.071 -177.231 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -57.7 164.7 1.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.255 175.084 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.13 110.36 0.92 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.04 -129.08 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.988 0.915 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mtp -75.64 68.95 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.419 -0.801 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.35 -178.7 17.16 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.974 1.75 . . . . 0.0 109.864 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -72.23 62.11 0.48 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.398 1.479 . . . . 0.0 110.962 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 136.6 57.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.497 -177.068 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -54.99 134.0 67.55 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 171.004 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.25 122.73 10.04 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.1 -43.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 175.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -47.43 108.33 0.15 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.924 0.889 . . . . 0.0 109.403 177.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.0 7.02 83.8 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 117.03 -1.983 . . . . 0.0 116.787 173.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 7.6 pt20 -74.24 -175.56 2.32 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.041 2.92 . . . . 0.0 107.412 172.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.68 132.33 11.31 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 119.928 -1.732 . . . . 0.0 114.379 -169.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -45.88 10.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.101 1.36 . . . . 0.0 112.086 174.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.53 -52.41 65.68 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 123.784 0.834 . . . . 0.0 110.162 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.98 -55.93 22.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.406 1.082 . . . . 0.0 108.373 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.13 -46.73 79.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.84 1.256 . . . . 0.0 111.663 -178.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.69 -57.64 12.04 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.193 0.906 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -56.27 -49.5 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.006 -178.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.03 -40.58 78.53 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.499 0.72 . . . . 0.0 111.837 -178.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' ' 69' ' ' LEU . 3.2 ppp? -65.78 -40.05 91.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.146 0.885 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -60.28 -50.94 71.66 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 172.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.96 -43.98 61.64 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.827 0.727 . . . . 0.0 111.787 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.05 -53.12 60.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.92 63.11 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.822 0.737 . . . . 0.0 111.241 177.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -69.64 -14.31 62.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.664 1.186 . . . . 0.0 111.908 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.47 73.01 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.372 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 p -103.16 -55.5 2.4 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.913 0.885 . . . . 0.0 108.807 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -75.2 64.31 1.43 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.103 0.561 . . . . 0.0 109.853 179.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.63 -171.28 39.25 Favored Glycine 0 CA--C 1.523 0.572 0 O-C-N 121.067 -1.021 . . . . 0.0 112.429 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.0 165.76 36.02 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 29.92 -98.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.648 2.379 . . . . 0.0 113.435 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -44.77 -37.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.602 1.961 . . . . 0.0 113.832 -178.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -66.56 -24.93 66.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.309 0.644 . . . . 0.0 112.297 -177.244 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.91 -45.65 2.59 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.496 1.118 . . . . 0.0 113.401 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.16 -52.17 66.66 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.192 0.52 . . . . 0.0 109.962 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 ttp -59.11 -49.33 78.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 m -47.19 -53.93 11.94 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.434 1.093 . . . . 0.0 110.096 176.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -42.83 99.49 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.768 179.473 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.65 87.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.915 0.325 . . . . 0.0 111.415 -178.477 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.43 -40.65 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -59.25 -10.45 2.95 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -56.11 -36.73 68.5 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.31 150.91 43.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.417 1.487 . . . . 0.0 111.601 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -82.49 -84.44 0.12 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.432 1.493 . . . . 0.0 112.509 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -155.48 -53.49 0.09 Allowed 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 125.862 1.665 . . . . 0.0 108.881 179.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -48.09 -51.4 24.7 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 173.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.79 -49.85 75.81 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 126.147 1.779 . . . . 0.0 111.93 179.063 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD22 ' SD ' ' A' ' 41' ' ' MET . 66.6 mt -53.44 -53.69 47.76 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.47 0.708 . . . . 0.0 109.438 179.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -59.31 -44.56 92.56 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 124.357 1.063 . . . . 0.0 110.176 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.6 78.67 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.648 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.13 -49.28 70.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.389 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.83 -54.36 39.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.081 0.238 . . . . 0.0 111.346 176.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.03 -53.84 47.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.593 0.357 . . . . 0.0 110.948 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.5 -60.32 3.37 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.395 0.678 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.7 mtm -57.76 -30.07 65.32 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.823 0.849 . . . . 0.0 112.458 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -72.03 -14.5 61.89 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.742 -0.599 . . . . 0.0 112.2 176.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -128.21 54.82 1.71 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -176.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.433 -1.317 0 C-N-CA 125.858 1.663 . . . . 0.0 108.36 -171.645 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.84 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.01 -48.24 61.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.336 1.454 . . . . 0.0 111.409 -178.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.07 -43.13 60.96 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.647 0.779 . . . . 0.0 111.3 179.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.9 -44.84 60.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -51.1 -41.24 59.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -39.81 -51.92 2.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.158 0.583 . . . . 0.0 112.513 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -46.0 83.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.05 0.94 . . . . 0.0 112.127 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -59.54 -29.41 67.88 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.662 1.985 . . . . 0.0 111.164 -174.553 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -47.36 -35.61 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.705 0.802 . . . . 0.0 110.492 178.306 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.83 -34.8 11.47 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.48 -0.622 . . . . 0.0 113.252 178.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -112.57 -33.4 6.16 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.72 0.808 . . . . 0.0 111.767 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -87.25 -28.83 22.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -175.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.48 159.46 28.17 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -173.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.19 -58.8 5.18 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.236 0.614 . . . . 0.0 111.242 -177.091 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -90.14 33.98 0.87 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.301 1.04 . . . . 0.0 112.356 -179.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.76 32.82 6.07 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.555 1.074 . . . . 0.0 114.255 177.776 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -68.08 -43.33 78.8 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.959 1.704 . . . . 0.0 110.77 -177.798 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt 48.36 -177.7 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 129.41 3.084 . . . . 0.0 117.772 175.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.16 37.22 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.206 3.802 . . . . 0.0 104.78 169.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.05 133.0 54.74 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.204 -174.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.1 mtt 44.5 46.35 8.04 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 124.131 0.895 . . . . 0.0 110.087 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.69 4.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -156.3 137.76 13.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.839 -0.8 . . . . 0.0 109.376 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.27 166.87 28.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.754 1.221 . . . . 0.0 108.326 -178.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.84 110.7 2.1 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 125.342 1.457 . . . . 0.0 108.067 177.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.81 137.16 74.9 Favored 'Trans proline' 0 N--CA 1.443 -1.491 0 CA-C-N 120.008 1.039 . . . . 0.0 110.052 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.28 -35.21 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -30.95 100.93 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 126.832 2.053 . . . . 0.0 111.134 175.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 47.95 26.36 4.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.467 1.508 . . . . 0.0 116.199 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.295 1.7 pt20 -71.12 161.59 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.847 2.323 . . . . 0.0 105.226 172.224 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 141.21 37.97 Favored Glycine 0 C--O 1.223 -0.593 0 O-C-N 120.485 -1.384 . . . . 0.0 113.923 -168.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.92 58.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.153 0.981 . . . . 0.0 110.117 174.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -57.47 -59.06 5.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.009 176.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -53.45 -58.61 6.54 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 125.622 1.569 . . . . 0.0 108.957 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -51.22 -53.18 37.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.109 0.964 . . . . 0.0 111.124 -178.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.58 -52.69 64.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 117.614 0.188 . . . . 0.0 110.504 -179.389 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.47 -50.7 70.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.755 0.312 . . . . 0.0 111.579 -177.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -63.68 -46.06 87.27 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.45 0.7 . . . . 0.0 111.242 -178.833 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.447 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.6 ppp? -64.72 -41.81 95.7 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 122.079 -0.388 . . . . 0.0 110.335 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -61.54 -41.86 97.97 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.61 -53.46 20.95 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 126.306 1.908 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -62.18 -56.1 22.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.756 0.422 . . . . 0.0 110.312 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.71 -50.62 32.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.93 0.492 . . . . 0.0 111.741 -178.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.36 -55.47 11.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.454 1.102 . . . . 0.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.39 30.4 1.56 Allowed Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.658 1.599 . . . . 0.0 111.688 -178.085 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -2.74 28.74 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.826 1.651 . . . . 0.0 110.6 177.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -143.93 161.61 38.28 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.833 0.742 . . . . 0.0 110.613 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.23 109.68 1.38 Allowed Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.632 -1.787 . . . . 0.0 108.632 -176.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.15 -49.54 18.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.312 0.958 . . . . 0.0 111.602 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.04 35.34 4.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.472 1.509 . . . . 0.0 108.618 175.033 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 70.82 -33.12 0.26 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 128.268 2.627 . . . . 0.0 114.355 178.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.32 55.4 mttm 72.18 42.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.059 1.344 . . . . 0.0 109.451 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.24 -66.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 129.827 3.251 . . . . 0.0 116.888 -176.418 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -57.57 -50.43 73.14 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.85 0.834 . . . . 0.0 110.32 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 ttp -62.6 -42.39 99.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.95 -52.09 59.22 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 118.062 0.392 . . . . 0.0 109.998 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -44.17 84.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.03 0.532 . . . . 0.0 109.595 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.3 36.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.7 m -66.19 -36.97 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.765 -178.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.55 -30.25 69.66 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.383 -0.823 . . . . 0.0 111.324 -178.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -78.15 -9.21 59.07 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.057 0.543 . . . . 0.0 111.965 177.274 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.57 129.98 34.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.617 1.167 . . . . 0.0 108.485 179.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -74.81 168.69 19.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.003 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -45.12 -48.12 12.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.784 0.72 . . . . 0.0 112.896 -178.133 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.7 -47.59 81.94 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 123.88 0.872 . . . . 0.0 110.972 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -64.2 -40.29 95.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.818 -0.61 . . . . 0.0 110.849 177.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.447 HD22 ' SD ' ' A' ' 41' ' ' MET . 94.4 mt -54.51 -53.6 52.27 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.008 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -60.28 -49.37 77.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.334 0.653 . . . . 0.0 110.352 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -51.78 66.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.51 -52.85 60.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.412 0.285 . . . . 0.0 111.573 176.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -51.61 -49.9 61.27 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.356 -0.215 . . . . 0.0 111.258 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -60.56 -53.5 56.72 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.369 0.668 . . . . 0.0 111.038 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.1 mtm -57.67 -32.98 67.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 124.322 1.049 . . . . 0.0 111.95 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -78.66 10.55 3.16 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.712 -0.617 . . . . 0.0 111.572 176.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -141.78 41.81 1.7 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 79' ' ' LEU . 5.1 mt . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 -177.08 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.798 0 CA-C-O 119.785 -0.453 . . . . 0.0 113.056 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -51.33 69.27 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.711 0.755 . . . . 0.0 111.416 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.34 92.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.144 0.177 . . . . 0.0 110.962 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.61 -50.17 70.44 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.816 0.446 . . . . 0.0 111.439 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -41.0 -41.71 1.72 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 126.198 1.799 . . . . 0.0 113.717 -175.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -43.5 -41.78 4.56 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.537 1.535 . . . . 0.0 112.347 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -69.18 -18.07 63.88 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -88.38 -22.37 23.81 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.226 1.81 . . . . 0.0 111.207 -177.022 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.75 148.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.94 1.27 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -175.066 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.75 -42.27 10.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CE1' HG21 ' A' ' 29' ' ' VAL . 95.9 m-70 -102.31 -14.01 17.12 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.743 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.26 -165.0 51.95 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -176.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -71.02 0.3 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.114 -0.639 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -84.03 49.17 1.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.355 1.062 . . . . 0.0 112.316 -174.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.65 35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.088 0 C-N-CA 128.459 2.933 . . . . 0.0 114.847 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -90.76 -49.32 6.52 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.866 2.066 . . . . 0.0 112.31 -169.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -52.53 123.27 10.63 Favored 'General case' 0 N--CA 1.424 -1.773 0 C-N-CA 124.351 1.061 . . . . 0.0 110.188 -178.061 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.59 48.77 0.47 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.594 1.557 . . . . 0.0 111.542 -177.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 56.48 -168.47 0.1 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.63 1.172 . . . . 0.0 110.466 -176.194 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.17 60.29 4.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.47 -109.08 0.31 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 m -153.05 54.84 0.77 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.588 0.694 . . . . 0.0 110.417 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.05 160.89 24.4 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.604 1.162 . . . . 0.0 110.201 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -62.55 128.98 92.32 Favored Pre-proline 0 C--O 1.233 0.211 0 O-C-N 121.118 -0.988 . . . . 0.0 109.146 178.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.65 147.95 67.65 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 174.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG21 ' CE1' ' A' ' 14' ' ' HIS . 16.1 t -93.01 -37.11 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.508 0.723 . . . . 0.0 110.201 -173.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -35.74 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.126 1.77 . . . . 0.0 110.988 178.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.44 39.05 95.74 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 117.21 -1.884 . . . . 0.0 116.911 176.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.01 -49.61 73.16 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 121.465 2.633 . . . . 0.0 107.506 170.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.6 141.61 3.45 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 128.412 2.91 . . . . 0.0 110.009 171.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -41.74 6.94 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.368 1.067 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -62.13 -53.39 56.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.137 0.975 . . . . 0.0 110.217 179.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.76 -58.36 8.71 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.101 1.36 . . . . 0.0 108.401 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.8 mt -53.26 -47.71 68.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.688 1.595 . . . . 0.0 110.633 -178.86 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.57 -50.48 73.63 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.733 0.697 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.22 -54.69 44.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.084 0.469 . . . . 0.0 110.992 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.88 -49.77 76.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 124.8 1.24 . . . . 0.0 111.703 -178.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 -179.287 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.76 -41.39 99.19 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.94 -51.11 30.7 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 125.68 1.61 . . . . 0.0 110.18 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 54' ' ' LYS . 19.2 m-85 -72.18 -37.74 69.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.986 178.314 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.64 89.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.667 1.121 . . . . 0.0 110.304 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.07 -42.64 75.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.452 0.701 . . . . 0.0 109.601 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 27.12 7.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.965 1.269 . . . . 0.0 111.763 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.75 -47.44 7.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 109.26 178.296 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -76.62 153.57 35.15 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.97 163.13 15.61 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 126.396 1.95 . . . . 0.0 110.508 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.42 -80.57 1.33 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 105.487 -3.045 . . . . 0.0 105.487 174.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -79.52 37.98 0.36 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 109.861 173.478 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -32.53 0.21 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 129.282 3.033 . . . . 0.0 117.054 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 44' ' ' TYR 0.256 26.6 mttm 75.41 36.76 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 127.425 2.29 . . . . 0.0 109.357 -175.002 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -19.95 -64.06 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 129.384 3.073 . . . . 0.0 116.292 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.9 tpp -52.88 -54.29 36.73 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.292 0.567 . . . . 0.0 109.76 -179.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.1 ttp -61.23 -48.72 80.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.33 -0.843 . . . . 0.0 108.728 177.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -46.51 -58.85 3.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.507 0.723 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -40.61 87.08 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.77 -0.581 . . . . 0.0 111.234 -178.158 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.46 80.63 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.342 0.519 . . . . 0.0 110.286 -177.473 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.62 -30.59 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.693 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -51.64 -25.9 7.99 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.998 0.817 . . . . 0.0 112.947 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.19 -23.43 66.61 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 121.68 -0.637 . . . . 0.0 111.999 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 116.17 8.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.576 1.15 . . . . 0.0 110.218 178.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -68.72 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -175.058 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -158.73 -59.9 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.732 0.813 . . . . 0.0 110.307 -177.205 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.32 -48.37 46.42 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.953 1.358 . . . . 0.0 107.714 174.026 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -53.72 -55.57 25.07 Favored 'General case' 0 N--CA 1.422 -1.835 0 C-N-CA 129.409 3.084 . . . . 0.0 109.985 176.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.7 mt -53.11 -56.08 19.04 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.102 0.477 . . . . 0.0 110.602 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -57.86 -52.57 64.93 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.303 0.573 . . . . 0.0 110.426 -179.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.58 71.23 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.94 -43.96 70.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.58 64.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.181 174.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.52 -49.04 65.61 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.471 0.308 . . . . 0.0 110.226 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -55.16 -59.91 4.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.881 0.872 . . . . 0.0 110.006 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.9 mtm -59.09 -25.63 63.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -78.77 -2.37 39.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.389 176.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -143.19 55.96 1.38 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.254 1.332 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 -172.915 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 N-CA-C 114.52 0.568 . . . . 0.0 114.52 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.07 -35.04 59.11 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.571 1.185 . . . . 0.0 112.034 178.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.61 -53.31 23.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.43 -49.73 61.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.021 1.329 . . . . 0.0 110.65 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.28 -32.17 6.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.111 0.964 . . . . 0.0 113.568 -176.448 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.33 -28.87 45.49 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.324 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -74.82 -24.24 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.637 0.653 . . . . 0.0 112.272 177.596 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -82.32 -34.16 28.66 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.231 1.812 . . . . 0.0 110.069 -178.257 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.58 138.34 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.564 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -41.3 2.24 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 107.019 -2.432 . . . . 0.0 107.019 -173.322 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 t -102.0 -37.73 8.07 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.262 1.031 . . . . 0.0 109.662 175.869 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CE1' HG21 ' A' ' 29' ' ' VAL . 59.6 m-70 -98.47 -6.3 30.65 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -176.358 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.9 175.62 42.12 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -173.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.23 49.67 1.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.981 -1.305 . . . . 0.0 111.086 -179.217 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -178.17 -54.55 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.104 0.961 . . . . 0.0 112.615 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.94 46.01 0.16 Allowed Glycine 0 C--N 1.334 0.465 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -175.175 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 p -103.67 -66.99 0.91 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -171.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -61.9 166.63 4.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.306 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 72.41 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.859 2.064 . . . . 0.0 112.892 -176.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 117.96 4.23 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.7 mmt 64.12 -64.17 0.14 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.401 1.88 . . . . 0.0 110.91 -168.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.91 1.58 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.347 -1.901 . . . . 0.0 108.347 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -71.82 52.91 0.23 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.146 1.378 . . . . 0.0 113.804 -178.159 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.77 33.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.646 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -59.46 124.17 74.1 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.351 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -55.93 142.41 84.69 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 N-CA-C 108.842 -1.253 . . . . 0.0 108.842 174.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 14' ' ' HIS . 6.1 t -92.81 -33.42 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.445 1.098 . . . . 0.0 110.328 -173.526 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -46.78 101.51 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.197 1.799 . . . . 0.0 109.158 177.424 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.46 94.04 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.937 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.08 -56.79 16.87 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 121.201 2.5 . . . . 0.0 107.608 172.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.57 140.23 3.06 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 128.237 2.827 . . . . 0.0 109.241 175.201 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.99 4.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.476 1.51 . . . . 0.0 113.133 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.53 -48.96 77.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.224 0.466 . . . . 0.0 110.42 -179.509 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -53.19 -52.85 57.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.503 1.121 . . . . 0.0 109.161 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.99 -65.72 0.6 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.516 1.127 . . . . 0.0 108.705 179.583 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.33 -58.45 0.83 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.684 1.594 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -49.32 -44.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 112.391 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -75.86 -45.74 34.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.222 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.75 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.889 1.677 . . . . 0.0 109.577 176.482 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.86 -42.9 84.88 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.32 -61.05 3.35 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 127.574 2.511 . . . . 0.0 110.707 174.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.16 -48.54 75.61 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -179.527 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.7 70.11 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.094 0.861 . . . . 0.0 111.815 179.047 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.73 -1.33 42.26 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.199 0.6 . . . . 0.0 111.225 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 40.95 92.82 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -176.616 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -138.94 31.91 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.037 0.935 . . . . 0.0 111.196 -177.019 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -153.09 151.1 29.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 176.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.94 123.48 2.79 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.33 -48.88 39.9 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 117.796 0.798 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.93 33.27 4.51 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.488 1.515 . . . . 0.0 108.743 175.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 65.46 -26.86 0.1 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 130.1 3.36 . . . . 0.0 117.867 176.429 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.292 38.6 mttm 72.16 41.54 0.63 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 125.834 1.654 . . . . 0.0 110.125 -177.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.08 -67.61 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.627 3.171 . . . . 0.0 117.111 -175.811 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -57.93 -48.71 79.12 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.758 -0.589 . . . . 0.0 110.324 -178.187 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.436 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -55.52 16.4 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 109.738 176.195 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -41.38 94.2 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.631 0.373 . . . . 0.0 110.514 -179.363 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.44 -55.05 39.76 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.73 -29.18 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.516 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -55.31 -32.21 62.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.043 0.838 . . . . 0.0 111.232 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.77 -21.15 63.45 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.94 0.496 . . . . 0.0 111.95 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.11 130.49 34.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.423 1.089 . . . . 0.0 111.275 -177.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 p -77.46 171.17 15.3 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 175.102 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -41.65 67.03 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.885 -1.135 . . . . 0.0 112.113 179.495 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.41 -57.86 6.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.333 1.063 . . . . 0.0 109.613 176.038 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -61.39 -49.95 74.81 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.119 1.367 . . . . 0.0 110.756 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.0 mt -53.37 -50.78 64.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.778 0.831 . . . . 0.0 110.245 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.01 -47.76 84.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.304 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.09 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.132 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.02 -51.15 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.61 -52.07 65.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.889 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -54.88 -48.03 73.52 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.03 0.532 . . . . 0.0 110.319 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -55.92 -57.46 12.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.594 0.758 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.4 mtm -61.49 -24.17 66.4 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.48 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 9.22 9.33 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.806 174.54 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -141.33 45.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -175.268 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 CA-C-O 119.85 -0.417 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -38.2 -52.48 1.46 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.834 2.054 . . . . 0.0 112.963 -177.513 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.58 41.66 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.453 1.101 . . . . 0.0 112.553 -179.504 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.3 mp -85.87 -52.55 5.67 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.7 1.2 . . . . 0.0 108.559 177.032 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -46.09 -40.89 11.51 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.732 1.613 . . . . 0.0 112.879 -176.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -18.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.638 1.175 . . . . 0.0 113.622 177.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -88.35 -48.6 7.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.425 1.09 . . . . 0.0 109.454 174.255 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 m -60.48 -30.64 69.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.225 1.81 . . . . 0.0 110.935 -175.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 pt -49.77 -27.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.761 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.33 -35.36 3.78 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.801 0.715 . . . . 0.0 111.886 176.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.6 m -114.05 -43.59 3.23 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.36 0.664 . . . . 0.0 109.995 176.2 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -73.81 -20.95 60.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -173.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.57 -177.51 43.72 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -178.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.59 -80.41 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.062 -0.67 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.73 51.68 2.08 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.731 1.212 . . . . 0.0 110.981 -175.286 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 0.92 0.01 OUTLIER Glycine 0 CA--C 1.54 1.621 0 C-N-CA 130.149 3.738 . . . . 0.0 119.716 175.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -79.18 48.43 0.87 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.937 1.869 . . . . 0.0 112.653 -173.604 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -75.3 169.32 18.29 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -178.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.7 68.28 1.07 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 172.099 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.82 -132.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.959 1.303 . . . . 0.0 111.522 -173.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptm -69.81 73.63 0.41 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.712 -0.618 . . . . 0.0 111.621 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.82 178.12 32.16 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.068 1.318 . . . . 0.0 110.706 -179.125 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -72.81 61.84 0.56 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.818 1.247 . . . . 0.0 111.655 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.79 150.2 36.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.452 1.101 . . . . 0.0 109.913 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -64.64 124.22 85.53 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.89 117.69 5.08 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.663 1.576 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.14 -40.91 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 C-N-CA 126.551 1.94 . . . . 0.0 113.913 178.402 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -25.94 89.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.599 2.76 . . . . 0.0 112.911 179.421 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.83 44.31 97.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 117.281 -1.844 . . . . 0.0 116.06 178.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.75 -53.29 57.05 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.19 2.495 . . . . 0.0 108.471 173.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.92 151.8 6.17 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 127.917 2.675 . . . . 0.0 108.402 176.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.13 90.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.539 1.669 . . . . 0.0 112.086 -177.124 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.72 -52.74 63.03 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -47.9 -62.08 1.64 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.805 1.642 . . . . 0.0 108.577 177.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.1 mt -53.81 -59.72 4.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.943 -179.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -43.19 -53.61 4.95 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.367 1.067 . . . . 0.0 111.7 179.316 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -58.93 -47.95 83.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.396 178.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -60.74 -43.65 97.65 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.731 179.141 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 4.6 mmm -55.75 -49.66 72.5 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 120.889 1.677 . . . . 0.0 109.287 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -59.97 -44.18 94.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.85 -49.3 54.99 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.739 1.162 . . . . 0.0 110.987 178.591 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -42.07 70.5 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.32 177.306 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.51 66.08 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.825 1.193 . . . . 0.0 110.7 178.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.19 -40.52 64.71 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 39.4 7.05 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 127.17 2.319 . . . . 0.0 110.845 178.789 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -94.87 -63.2 1.2 Allowed 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 174.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.67 125.59 22.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 172.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.82 -45.84 0.67 Allowed Glycine 0 C--N 1.334 0.424 0 CA-C-O 122.062 0.812 . . . . 0.0 111.222 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.76 -73.81 1.41 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 103.874 -3.691 . . . . 0.0 103.874 -170.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -76.95 113.99 15.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 163.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -41.67 -35.7 0.82 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -171.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.317 0.5 OUTLIER 63.36 47.08 4.1 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.807 1.289 . . . . 0.0 109.017 -178.833 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.58 -45.37 4.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 129.286 3.034 . . . . 0.0 113.655 -179.248 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.84 -49.8 76.27 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.197 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.27 -50.56 71.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.0 m -45.97 -59.77 2.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.048 0.939 . . . . 0.0 110.741 176.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -42.55 94.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.885 -0.579 . . . . 0.0 110.648 -177.88 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.19 -58.96 6.17 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.207 0.458 . . . . 0.0 110.653 -178.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.81 -36.35 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 122.616 0.366 . . . . 0.0 111.032 -178.403 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.88 -24.86 39.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.604 0.762 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.29 -21.65 64.77 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.783 0.719 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.86 138.54 33.88 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.319 1.048 . . . . 0.0 110.461 -178.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -83.01 171.23 14.04 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.821 0.849 . . . . 0.0 108.936 177.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.46 -47.86 56.78 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.255 -0.903 . . . . 0.0 112.797 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -54.06 -50.72 66.12 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.603 0.716 . . . . 0.0 110.52 179.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.56 -48.85 77.66 Favored 'General case' 0 N--CA 1.426 -1.663 0 C-N-CA 124.166 0.986 . . . . 0.0 110.438 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -55.36 -51.51 66.54 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.551 0.74 . . . . 0.0 110.018 179.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -56.37 -45.08 80.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.72 80.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.46 -47.07 80.39 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.19 -58.25 8.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.593 173.573 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.68 -42.6 45.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.484 0.713 . . . . 0.0 111.952 179.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -58.16 -61.44 2.56 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.3 mtm -57.77 -23.93 54.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.4 m -67.36 -17.95 64.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.704 -0.665 . . . . 0.0 112.783 176.337 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -134.58 61.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 -176.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.251 34.0 tp . . . . . 0 N--CA 1.428 -1.557 0 CA-C-O 115.563 -2.161 . . . . 0.0 105.313 -171.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.791 0 N-CA-C 115.208 0.843 . . . . 0.0 115.208 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.77 -58.34 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.175 1.39 . . . . 0.0 112.602 -173.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.96 64.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.298 0.639 . . . . 0.0 112.096 -178.085 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.87 -52.91 31.1 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -47.24 -41.59 18.84 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 123.86 0.864 . . . . 0.0 112.833 -177.647 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -43.76 -37.59 2.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.255 0.622 . . . . 0.0 112.118 177.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -46.4 65.29 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.242 1.02 . . . . 0.0 110.887 178.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.31 -29.98 70.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.732 2.013 . . . . 0.0 110.741 -174.061 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -44.57 -37.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.246 0 C-N-CA 123.772 0.829 . . . . 0.0 109.773 173.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.36 3.36 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.472 1.034 . . . . 0.0 113.636 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 m -112.11 -35.35 5.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.109 0.954 . . . . 0.0 111.708 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -89.28 -27.78 20.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 -172.683 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 162.21 38.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -177.33 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.61 -56.54 14.68 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -85.93 33.38 0.6 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.315 1.046 . . . . 0.0 112.85 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.46 40.58 0.12 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 127.833 2.635 . . . . 0.0 115.658 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -99.53 -28.75 13.08 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -173.444 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -69.58 130.33 42.13 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 120.168 1.349 . . . . 0.0 108.824 -175.553 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.64 44.24 0.44 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.688 1.195 . . . . 0.0 112.783 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 24.59 -134.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.151 3.381 . . . . 0.0 115.82 179.23 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtp -70.28 69.32 0.37 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 74.05 0.81 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.72 0.676 . . . . 0.0 114.12 173.041 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m 79.02 68.53 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 124.452 1.101 . . . . 0.0 113.119 173.515 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.25 139.89 38.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 169.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -57.63 124.12 66.35 Favored Pre-proline 0 C--O 1.233 0.221 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 174.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.49 142.62 70.21 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 CA-C-N 120.041 1.05 . . . . 0.0 110.115 178.65 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.53 -41.82 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 109.483 -177.015 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -29.56 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.991 2.116 . . . . 0.0 111.799 -176.573 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.24 46.0 51.83 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 117.482 -1.732 . . . . 0.0 116.267 177.833 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.03 -51.05 65.26 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 120.807 2.303 . . . . 0.0 107.4 171.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.95 140.44 3.35 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 128.285 2.85 . . . . 0.0 110.552 170.43 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.23 -43.28 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.631 1.172 . . . . 0.0 113.796 -179.113 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.61 -52.56 63.9 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 123.68 0.792 . . . . 0.0 109.819 178.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -56.89 -63.97 1.03 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 46.3 mt -47.78 -47.18 30.89 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.834 1.653 . . . . 0.0 111.33 -178.232 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -62.32 -51.75 66.43 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.295 0.952 . . . . 0.0 111.218 178.733 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -45.6 92.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.973 -177.564 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -69.11 -43.16 75.02 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 125.563 1.545 . . . . 0.0 110.917 -177.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.516 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.8 ppp? -67.14 -38.53 85.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.541 0.61 . . . . 0.0 109.546 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -61.2 -43.76 98.36 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 171.443 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.66 -40.83 48.93 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.616 1.579 . . . . 0.0 111.088 174.536 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -68.73 -44.96 72.74 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 124.002 0.921 . . . . 0.0 110.759 174.469 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.46 71.97 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.525 1.057 . . . . 0.0 109.942 175.5 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.44 5.73 14.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.44 1.096 . . . . 0.0 111.743 176.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.74 28.02 6.73 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 126.343 1.925 . . . . 0.0 113.789 -179.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.9 m -107.48 -41.65 5.01 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 117.745 0.773 . . . . 0.0 112.682 -173.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.01 75.74 0.92 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -173.597 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.51 -137.46 7.81 Favored Glycine 0 CA--C 1.525 0.687 0 O-C-N 120.981 -1.074 . . . . 0.0 110.501 177.701 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.18 171.59 33.39 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -11.63 -54.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.787 3.235 . . . . 0.0 116.874 -178.247 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -46.0 -29.68 1.54 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.655 1.182 . . . . 0.0 112.902 179.59 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -66.67 -12.16 57.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.37 -54.68 5.62 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -173.069 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -55.63 -56.87 15.26 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.091 0.948 . . . . 0.0 109.713 -178.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.3 ttp -53.91 -45.41 71.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.033 1.333 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.5 m -53.85 -55.43 26.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.061 0.944 . . . . 0.0 108.931 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -39.92 89.4 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.92 -59.74 4.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.064 0.393 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.26 -31.68 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 111.052 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -58.73 -22.85 58.66 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.62 0.646 . . . . 0.0 111.557 178.514 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -75.37 -17.07 60.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.98 0.809 . . . . 0.0 111.836 177.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.56 140.77 31.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.031 1.332 . . . . 0.0 110.982 -176.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -88.66 166.35 14.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -50.25 -39.73 45.69 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -176.275 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -56.32 -52.53 64.21 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.331 1.052 . . . . 0.0 109.37 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.79 -46.19 90.63 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.384 1.074 . . . . 0.0 109.144 178.551 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.516 HD22 ' SD ' ' A' ' 41' ' ' MET . 84.3 mt -53.23 -58.17 7.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.288 0.949 . . . . 0.0 109.863 179.149 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -55.86 -47.35 77.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.316 0.579 . . . . 0.0 109.685 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.38 70.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.07 -0.491 . . . . 0.0 112.272 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -48.63 63.48 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 -179.746 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.49 -52.13 60.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.363 0.415 . . . . 0.0 110.267 175.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.6 -50.35 63.22 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 119.333 -0.365 . . . . 0.0 111.092 177.053 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.82 -59.25 5.31 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.965 0.412 . . . . 0.0 110.794 -179.208 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.1 mtm -52.1 -33.23 38.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 125.619 1.568 . . . . 0.0 112.492 176.676 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -76.05 0.68 17.83 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.104 177.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -133.3 39.46 3.25 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -178.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.427 -1.607 0 C-N-CA 125.642 1.577 . . . . 0.0 107.733 -171.67 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.246 0 N-CA-C 116.714 1.446 . . . . 0.0 116.714 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.41 73.59 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 119.142 1.471 . . . . 0.0 111.314 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.95 69.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.53 -44.72 73.06 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.253 1.421 . . . . 0.0 110.748 -179.55 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 36.3 t80 -51.61 -35.18 40.66 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -175.198 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -47.35 -49.88 23.4 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.203 0.456 . . . . 0.0 111.277 -178.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -17.76 12.87 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.675 1.59 . . . . 0.0 114.623 -178.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 7' ' ' TYR . 2.1 m -91.87 -23.54 19.62 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.245 1.418 . . . . 0.0 111.456 -174.728 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.63 139.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 175.146 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.98 -44.18 1.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.215 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.82 -37.31 10.8 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 118.761 1.281 . . . . 0.0 108.874 176.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -110.11 -24.63 10.63 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.465 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.2 162.33 37.57 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.22 -4.7 14.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -124.75 19.59 8.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.548 1.939 . . . . 0.0 109.725 178.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.09 19.29 0.12 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 128.223 2.821 . . . . 0.0 115.77 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 p -97.33 -23.02 16.32 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -168.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -70.72 132.59 45.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 117.135 -1.826 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.62 103.69 2.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 175.35 0.38 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.241 0.616 . . . . 0.0 110.765 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mmm -30.84 128.79 0.13 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.421 1.888 . . . . 0.0 113.739 -176.548 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 55.32 31.32 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 123.669 0.652 . . . . 0.0 112.086 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 42.61 54.92 4.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.393 1.477 . . . . 0.0 112.801 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.57 57.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.986 -178.863 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.04 122.22 40.66 Favored Pre-proline 0 N--CA 1.44 -0.938 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 172.151 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.96 142.66 98.22 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.163 1.242 . . . . 0.0 108.999 -176.38 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.72 -52.6 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -176.619 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -21.09 86.97 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.978 2.911 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 47.68 3.35 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.061 1.315 . . . . 0.0 115.701 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.275 5.7 pt20 -58.95 -30.59 68.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.477 1.639 . . . . 0.0 110.512 176.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.46 134.33 1.63 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 127.383 2.42 . . . . 0.0 108.387 171.087 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.33 74.52 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.657 2.728 . . . . 0.0 110.565 -179.797 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.76 -54.96 27.09 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -47.67 -60.71 2.36 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.754 1.222 . . . . 0.0 109.501 177.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 56.0 mt -53.61 -53.06 57.21 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.702 2.001 . . . . 0.0 110.445 -179.362 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -56.08 -54.48 44.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.332 0.514 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -59.25 -51.13 71.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.439 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -44.11 82.7 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.642 0.656 . . . . 0.0 111.108 -178.668 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -62.69 -40.13 96.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.817 0.735 . . . . 0.0 110.238 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -58.59 -55.77 30.82 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.86 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.0 -48.43 38.49 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.354 0.978 . . . . 0.0 111.448 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -59.41 -62.17 2.08 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.72 0.808 . . . . 0.0 109.814 178.197 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.08 68.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.796 0.726 . . . . 0.0 112.06 -178.027 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.54 -28.98 69.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.27 1.428 . . . . 0.0 111.439 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 30.74 16.28 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.656 -0.524 . . . . 0.0 111.833 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 p -108.86 -70.46 0.81 Allowed 'General case' 0 C--N 1.338 0.1 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.362 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -62.9 121.51 13.68 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.828 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.06 -176.66 47.19 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 165.08 29.03 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 106.77 -2.532 . . . . 0.0 106.77 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -6.3 -91.46 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.561 2.344 . . . . 0.0 115.489 -179.708 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -63.46 -38.82 92.6 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.23 -0.919 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -60.79 -17.97 52.48 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.119 0.968 . . . . 0.0 110.767 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.98 -32.97 22.74 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.797 -0.564 . . . . 0.0 110.991 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.2 -63.28 1.11 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 175.646 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 tpt -41.98 -44.78 3.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.806 2.442 . . . . 0.0 110.981 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -42.21 -46.0 4.29 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.162 1.385 . . . . 0.0 110.938 177.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -115.32 19.8 15.29 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 121.677 -0.639 . . . . 0.0 112.226 179.394 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.0 93.28 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 164.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.5 m -91.49 24.43 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.447 1.899 . . . . 0.0 111.928 176.214 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -10.82 81.82 0.0 OUTLIER 'General case' 0 C--N 1.346 0.419 0 C-N-CA 129.865 3.266 . . . . 0.0 114.472 175.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.7 42.78 3.05 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.325 -2.216 . . . . 0.0 112.683 176.791 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.33 141.12 6.86 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.636 1.175 . . . . 0.0 109.574 174.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t -78.49 162.55 26.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.163 0.585 . . . . 0.0 111.061 -175.243 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.21 -49.22 6.62 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -174.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.15 0.98 . . . . 0.0 110.163 179.15 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.35 -48.06 83.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.782 1.233 . . . . 0.0 109.225 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.19 -57.97 10.5 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.183 -177.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -54.98 -50.17 69.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.354 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.19 74.93 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 117.992 -1.004 . . . . 0.0 112.571 -179.552 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.8 -48.87 75.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 120.322 1.419 . . . . 0.0 107.458 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -55.61 28.9 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.645 0.202 . . . . 0.0 110.687 177.364 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -49.78 -51.7 37.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.112 0.565 . . . . 0.0 110.804 178.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -58.74 -50.95 72.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.287 0.635 . . . . 0.0 110.791 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtm -62.05 -19.67 63.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.844 0.858 . . . . 0.0 112.294 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 m -89.27 7.67 34.36 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.745 1.218 . . . . 0.0 112.179 173.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.67 48.03 1.74 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 -172.086 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 CA-C-O 122.167 0.87 . . . . 0.0 114.548 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.66 -61.08 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.276 1.43 . . . . 0.0 111.399 -174.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 48.66 1.4 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.038 0.535 . . . . 0.0 110.192 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 80.2 mt -147.54 -58.02 0.25 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.544 2.738 . . . . 0.0 105.746 175.218 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -45.26 -40.67 7.74 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.316 1.447 . . . . 0.0 112.651 -178.355 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -43.44 -35.38 1.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.12 0.968 . . . . 0.0 112.603 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.24 -46.69 48.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.63 0.772 . . . . 0.0 110.295 178.649 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -59.71 -35.21 74.05 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.962 1.705 . . . . 0.0 110.025 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -46.46 -34.13 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.566 0.746 . . . . 0.0 110.459 175.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.15 -36.66 7.36 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.502 0.572 . . . . 0.0 112.734 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.4 -38.08 5.57 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.924 0.89 . . . . 0.0 110.972 179.419 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.539 ' CE1' HG21 ' A' ' 29' ' ' VAL . 61.1 m-70 -81.9 -33.36 30.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -173.54 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.43 170.75 47.23 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.11 -72.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.425 0.69 . . . . 0.0 111.359 -177.144 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.62 36.02 0.69 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.04 0.936 . . . . 0.0 112.067 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.25 36.75 4.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.665 2.079 . . . . 0.0 114.539 179.112 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -113.49 -6.53 13.45 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.199 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -79.22 157.5 27.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 121.061 1.755 . . . . 0.0 110.52 -178.19 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 122.86 18.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.13 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.3 -129.38 0.09 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.7 mmt -72.62 73.05 1.05 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.586 -0.696 . . . . 0.0 110.0 177.132 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.93 -151.97 28.03 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 64.85 0.16 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.799 1.64 . . . . 0.0 112.505 -178.101 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 137.12 36.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.272 1.029 . . . . 0.0 109.17 178.252 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -56.84 124.11 62.44 Favored Pre-proline 0 C--O 1.233 0.228 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.062 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.46 143.35 88.01 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 N-CA-C 106.947 -1.982 . . . . 0.0 106.947 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 14' ' ' HIS . 3.3 t -103.3 33.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.966 1.306 . . . . 0.0 110.411 -171.565 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 57.28 1.87 Allowed 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 124.967 1.307 . . . . 0.0 108.831 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.2 74.46 0.85 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.906 1.241 . . . . 0.0 113.203 -178.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.72 -53.48 57.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 173.366 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.5 135.35 1.8 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 127.522 2.487 . . . . 0.0 108.349 172.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.9 -45.83 15.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.37 2.085 . . . . 0.0 113.494 -176.564 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -60.5 -53.94 51.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.251 0.62 . . . . 0.0 109.839 179.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -52.35 -58.64 6.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.419 1.488 . . . . 0.0 108.386 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.1 mt -49.48 -64.31 0.85 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 127.017 2.127 . . . . 0.0 109.702 179.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -40.82 -58.08 1.77 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.705 1.139 . . . . 0.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -53.16 -49.82 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.675 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -60.38 -56.67 18.65 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.914 179.017 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -41.83 75.45 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.564 1.529 . . . . 0.0 110.946 178.314 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.46 -52.34 64.93 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.56 -43.91 45.99 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.954 1.74 . . . . 0.0 111.795 178.238 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.76 -60.41 2.92 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.605 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -46.21 64.96 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.044 0.384 . . . . 0.0 111.972 -177.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -77.52 7.32 5.65 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.24 30.99 79.2 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.237 0.922 . . . . 0.0 114.69 175.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -103.02 -54.69 2.57 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 118.175 0.988 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -80.16 68.14 6.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.97 -172.45 41.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.54 0.42 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -133.5 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.391 1.077 . . . . 0.0 108.67 178.698 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -50.03 -31.99 14.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.169 0.895 . . . . 0.0 111.0 176.164 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -52.95 -26.24 14.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.182 1.793 . . . . 0.0 112.663 178.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.62 63.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.822 0.449 . . . . 0.0 110.428 174.373 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ttt -67.32 -49.15 65.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.694 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.7 mmm -50.93 -46.29 60.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.869 1.667 . . . . 0.0 109.97 178.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 m -47.33 -35.49 8.14 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.092 0.557 . . . . 0.0 111.512 175.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 62' ' ' LYS 0.354 0.7 OUTLIER -114.32 23.31 12.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.988 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.71 -54.93 3.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 163.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.95 40.12 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.878 1.271 . . . . 0.0 108.588 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 44.6 tttp -17.37 -69.17 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 130.015 3.326 . . . . 0.0 117.262 -170.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 34.73 2.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.699 0.625 . . . . 0.0 109.922 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 126.15 16.96 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 p -92.47 167.59 11.86 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.68 0.792 . . . . 0.0 109.409 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.6 -53.96 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.691 1.196 . . . . 0.0 114.185 -176.185 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.73 -54.51 32.71 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.436 0.636 . . . . 0.0 109.955 178.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.44 -51.13 71.15 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.555 1.142 . . . . 0.0 109.652 -178.079 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -57.93 -56.7 18.53 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.165 1.386 . . . . 0.0 110.877 -177.765 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -44.09 96.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.868 0.467 . . . . 0.0 109.891 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.53 -33.93 73.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.227 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -66.87 -50.66 61.79 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 177.539 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.31 59.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 123.492 0.495 . . . . 0.0 110.041 175.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.02 -51.24 68.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.642 0.377 . . . . 0.0 110.657 178.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -53.43 -60.73 2.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.09 0.556 . . . . 0.0 110.188 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 mtm -59.27 -31.96 69.58 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.699 0.799 . . . . 0.0 112.821 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -74.4 3.25 7.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.332 175.067 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -140.74 50.19 1.67 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.671 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 C--O 1.253 1.265 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -172.253 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 116.558 1.383 . . . . 0.0 116.558 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.85 -42.26 26.04 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.14 0.576 . . . . 0.0 111.97 -177.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.47 89.86 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.188 0.595 . . . . 0.0 111.649 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.44 -47.18 64.85 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.072 0.949 . . . . 0.0 109.687 -179.249 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -47.06 -37.08 8.91 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -47.12 -28.25 1.71 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.779 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -88.22 -46.99 8.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 110.121 175.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m -55.19 -35.21 64.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.932 2.093 . . . . 0.0 111.293 -175.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.3 pt -54.45 -22.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.957 178.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.05 -34.24 11.61 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 118.85 0.75 . . . . 0.0 111.935 174.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 m -111.99 -42.54 3.75 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.72 0.76 . . . . 0.0 110.364 177.423 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -74.58 -22.55 58.92 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -174.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -70.8 2.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.582 1.087 . . . . 0.0 112.233 175.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.13 -77.99 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 117.097 0.448 . . . . 0.0 110.246 -178.336 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -59.97 -40.76 90.18 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 123.159 0.584 . . . . 0.0 111.831 -179.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.68 13.91 15.39 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.89 1.233 . . . . 0.0 111.221 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -67.64 -42.91 81.5 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.265 1.033 . . . . 0.0 109.733 177.002 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 41.42 -141.41 0.09 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.72 2.008 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 143.62 62.9 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 1 C-N-CA 132.768 4.427 . . . . 0.0 102.37 -175.227 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.21 -127.93 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.483 1.113 . . . . 0.0 111.22 -172.123 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.3 mmt -70.24 75.58 0.52 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.046 0.538 . . . . 0.0 110.563 -179.53 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -178.55 37.37 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.094 1.331 . . . . 0.0 110.522 -178.756 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -75.79 65.99 2.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.073 0.949 . . . . 0.0 109.037 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.39 149.86 42.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.461 1.104 . . . . 0.0 110.475 -178.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.25 118.87 30.65 Favored Pre-proline 0 N--CA 1.439 -0.986 0 C-N-CA 125.181 1.392 . . . . 0.0 109.44 177.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.98 135.19 62.87 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.647 2.231 . . . . 0.0 111.944 178.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -74.85 -39.23 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.81 0.844 . . . . 0.0 111.111 -179.142 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -31.86 94.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.122 1.769 . . . . 0.0 112.037 -176.571 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.0 2.39 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.428 1.966 . . . . 0.0 115.647 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -48.49 -58.43 4.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 123.115 1.436 . . . . 0.0 109.732 176.039 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.98 132.86 1.56 Allowed Glycine 0 C--O 1.219 -0.836 0 C-N-CA 127.872 2.653 . . . . 0.0 106.917 174.113 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.24 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 121.133 2.467 . . . . 0.0 112.432 -176.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -53.47 55.08 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.11 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -49.97 -61.11 2.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.056 1.342 . . . . 0.0 108.912 177.55 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 76' ' ' MET . 11.8 mt -49.23 -64.14 0.89 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.143 1.777 . . . . 0.0 109.144 179.313 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -40.17 -55.32 2.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 119.104 0.866 . . . . 0.0 111.518 178.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.37 -43.46 92.87 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 71.4 mmtt -64.64 -56.98 10.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.759 0.824 . . . . 0.0 111.258 178.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -39.27 75.71 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 119.929 1.24 . . . . 0.0 110.19 177.703 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -60.21 -54.77 41.86 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.456 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.05 -50.45 21.76 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 125.65 1.595 . . . . 0.0 110.596 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -59.47 -64.77 0.82 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.135 0.574 . . . . 0.0 109.671 177.015 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -46.25 43.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.226 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -75.11 -9.7 58.78 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.15 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.81 7.02 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 118.664 0.665 . . . . 0.0 113.346 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.5 p -120.21 -77.44 0.58 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.029 0.914 . . . . 0.0 109.436 175.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.417 ' CE2' ' HD2' ' A' ' 40' ' ' LYS . 56.6 t80 -59.12 123.26 16.03 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.25 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.21 -167.78 40.31 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.487 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.5 109.09 0.94 Allowed Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.215 1.388 . . . . 0.0 111.212 -175.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.2 -103.66 0.12 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.683 1.993 . . . . 0.0 112.181 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -58.15 -39.22 78.24 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.175 -0.953 . . . . 0.0 109.658 177.462 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -72.63 -31.36 65.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.884 1.274 . . . . 0.0 108.828 176.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.21 93.66 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.455 -0.778 . . . . 0.0 110.219 177.706 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.7 tpt -60.26 -53.79 53.43 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 174.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.54 -43.6 17.17 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 126.881 2.073 . . . . 0.0 110.781 179.293 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.7 m -38.82 -45.74 1.19 Allowed 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.188 1.395 . . . . 0.0 111.422 177.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -114.5 13.16 17.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.33 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 164.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.93 28.9 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.631 1.572 . . . . 0.0 111.207 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -14.16 83.64 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.418 3.487 . . . . 0.0 114.361 175.084 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 48.99 38.49 12.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 112.535 -2.121 . . . . 0.0 112.619 174.029 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.27 132.53 16.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 109.906 174.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.68 171.31 14.13 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.979 0.911 . . . . 0.0 111.592 -175.348 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -52.0 -50.69 60.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.278 -0.888 . . . . 0.0 113.019 -178.206 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -51.97 -51.99 53.44 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 124.142 0.977 . . . . 0.0 109.643 178.118 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.83 -60.4 3.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 113.697 -1.592 . . . . 0.0 108.746 179.881 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -52.9 -53.34 50.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.152 1.381 . . . . 0.0 112.318 -176.611 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.66 -51.54 69.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 -177.505 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.73 74.2 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.0 -179.381 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.03 -52.46 59.36 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.566 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.46 69.65 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.255 0.222 . . . . 0.0 110.525 176.57 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.2 -47.39 72.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.918 -0.128 . . . . 0.0 110.762 177.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -58.61 -50.3 74.33 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.286 0.634 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.478 ' HB2' HD13 ' A' ' 37' ' ' LEU . 4.6 mmt -58.59 -33.53 70.08 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.95 -0.469 . . . . 0.0 111.203 178.641 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 m -78.93 10.18 3.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.846 1.258 . . . . 0.0 113.15 176.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -142.67 45.68 1.6 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 178.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 N--CA 1.435 -1.217 0 C-N-CA 126.455 1.902 . . . . 0.0 106.05 -175.185 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 N-CA-C 116.354 1.302 . . . . 0.0 116.354 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.2 5.42 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.594 1.157 . . . . 0.0 111.446 -179.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.69 86.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.791 0.836 . . . . 0.0 111.515 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mp -66.07 -47.85 72.93 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -46.66 -39.7 11.82 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.019 0.928 . . . . 0.0 113.475 -175.868 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -47.25 -36.99 9.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.721 1.209 . . . . 0.0 111.882 178.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -66.52 -45.72 78.58 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.93 0.871 . . . . 0.0 110.375 178.581 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.29 -35.51 79.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.172 1.789 . . . . 0.0 110.055 -174.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -47.47 -37.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 123.271 0.628 . . . . 0.0 109.599 175.233 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.54 -30.82 6.56 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.808 -0.996 . . . . 0.0 113.423 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -113.88 -43.89 3.22 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.759 1.279 . . . . 0.0 110.002 -178.717 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -76.34 -22.17 55.25 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -176.049 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.32 172.55 49.13 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -173.858 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.64 -71.72 0.08 Allowed 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.557 . . . . 0.0 110.98 -177.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -86.91 60.45 6.23 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.953 0.901 . . . . 0.0 109.946 -178.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 4.65 70.69 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 1 C-N-CA 130.705 4.003 . . . . 0.0 115.679 179.129 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -139.06 -1.2 1.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.29 121.24 15.27 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.813 1.188 . . . . 0.0 110.546 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 66.49 2.49 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.136 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.44 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.288 1.835 . . . . 0.0 111.879 -176.237 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.2 71.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.526 1.13 . . . . 0.0 108.251 179.148 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -172.57 55.12 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -178.026 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 m -71.04 63.02 0.31 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.003 1.321 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 134.43 54.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.353 0.661 . . . . 0.0 109.833 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -55.23 125.93 59.76 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 174.135 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -53.18 135.47 59.69 Favored 'Trans proline' 0 N--CA 1.444 -1.441 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 176.428 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.86 -41.29 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -178.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -29.31 93.52 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.941 2.496 . . . . 0.0 111.737 176.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 56.41 41.98 88.74 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 117.281 1.673 . . . . 0.0 117.281 176.317 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -54.59 -53.63 52.02 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 120.504 2.152 . . . . 0.0 108.187 172.552 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.12 136.52 2.17 Favored Glycine 0 C--O 1.222 -0.64 0 CA-C-N 112.108 -2.315 . . . . 0.0 109.892 174.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.77 -42.8 8.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.761 1.781 . . . . 0.0 113.04 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.89 -51.07 66.25 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 123.391 0.676 . . . . 0.0 110.328 179.119 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.1 -58.5 7.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.354 1.062 . . . . 0.0 108.621 178.651 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -55.12 -48.14 74.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.078 1.351 . . . . 0.0 110.8 -178.72 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.14 -51.64 69.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.391 0.541 . . . . 0.0 110.636 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.14 -51.29 69.72 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.684 0.278 . . . . 0.0 111.471 -177.455 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.02 -41.26 95.47 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.89 0.876 . . . . 0.0 110.833 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.486 ' SD ' HD13 ' A' ' 69' ' ' LEU 0.261 3.3 ppp? -67.79 -42.25 81.94 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 179.111 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -57.24 -39.98 76.65 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 170.051 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.43 -62.96 3.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 126.772 2.129 . . . . 0.0 109.358 174.074 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -59.97 -40.36 88.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.801 0.84 . . . . 0.0 110.463 178.74 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.29 81.03 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 123.145 0.578 . . . . 0.0 110.844 178.249 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.43 -45.31 55.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.462 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.56 -5.76 33.29 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.666 1.127 . . . . 0.0 112.175 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -70.66 -56.24 6.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.086 0.943 . . . . 0.0 109.468 178.864 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.14 107.93 0.82 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.559 179.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.64 -77.84 1.23 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-O 122.04 0.8 . . . . 0.0 111.842 178.076 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 -64.73 0.25 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.84 2.162 . . . . 0.0 115.295 175.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.55 -93.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.505 2.322 . . . . 0.0 114.214 -172.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -58.4 -24.3 59.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.908 -1.12 . . . . 0.0 112.159 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.49 -24.22 67.54 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.378 2.271 . . . . 0.0 110.262 177.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -10.57 -65.16 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 128.612 2.765 . . . . 0.0 116.483 -178.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ptp -49.05 -53.24 21.14 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.866 0.841 . . . . 0.0 110.91 179.458 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.0 ttp -64.14 -52.48 58.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.496 1.518 . . . . 0.0 108.131 177.351 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -45.14 -57.28 4.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.817 0.847 . . . . 0.0 110.619 -178.836 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -46.54 89.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 110.335 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.23 13.21 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 117.985 0.357 . . . . 0.0 110.721 -178.447 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.53 -33.83 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 O-C-N 121.879 -0.513 . . . . 0.0 111.533 -179.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.06 -25.7 59.1 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.316 0.962 . . . . 0.0 111.185 178.582 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.43 -11.48 59.95 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.47 171.55 9.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.433 1.093 . . . . 0.0 110.291 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.0 p -120.98 167.65 12.35 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.254 1.022 . . . . 0.0 110.81 -178.122 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -45.49 -47.66 14.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -176.033 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.16 -50.23 73.47 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.581 0.752 . . . . 0.0 110.777 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.87 -47.69 82.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.115 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.486 HD13 ' SD ' ' A' ' 41' ' ' MET . 0.8 OUTLIER -55.71 -58.65 6.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.275 0.63 . . . . 0.0 111.11 -177.454 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -52.64 -46.73 67.23 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.504 0.721 . . . . 0.0 109.203 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.02 79.51 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -49.27 64.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 105.763 -1.939 . . . . 0.0 105.763 -178.741 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.31 -50.06 65.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.802 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.11 -52.14 59.63 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 117.945 0.339 . . . . 0.0 110.698 177.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -54.01 -59.99 3.92 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.034 0.445 . . . . 0.0 110.204 178.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.8 mtm -56.38 -25.96 51.41 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.64 1.176 . . . . 0.0 113.292 179.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -76.41 -6.12 50.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.263 176.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -133.76 52.08 2.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -178.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 -171.46 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.271 1.028 . . . . 0.0 112.441 -177.248 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.73 79.06 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.213 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.33 -50.89 68.46 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -179.133 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -47.53 -36.46 10.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.601 0.761 . . . . 0.0 112.931 -178.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -57.61 -15.4 7.37 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -178.754 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -87.61 -31.12 19.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.502 1.046 . . . . 0.0 110.986 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.3 m -71.84 -28.67 63.72 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.49 1.516 . . . . 0.0 111.955 -173.056 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 pt -47.9 -31.94 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.865 0.866 . . . . 0.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.11 -34.24 5.86 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.099 0.857 . . . . 0.0 112.297 177.744 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -114.23 -40.33 3.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.487 0.715 . . . . 0.0 110.24 177.074 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.402 ' CE1' HG21 ' A' ' 29' ' ' VAL . 90.2 m-70 -78.77 -5.11 52.43 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -174.856 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.19 -152.12 47.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 178.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.16 -0.17 39.08 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.06 -85.61 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.185 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.61 41.5 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -102.99 17.34 24.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.822 1.649 . . . . 0.0 110.179 177.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 175.75 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.075 1.879 . . . . 0.0 116.075 -175.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.99 73.44 1.42 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 170.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.55 -142.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.782 1.233 . . . . 0.0 111.966 -172.707 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.8 mtt -67.32 83.3 0.15 Allowed 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.583 -0.698 . . . . 0.0 110.671 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.16 172.01 48.16 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.506 1.05 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.41 109.42 0.3 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.602 1.161 . . . . 0.0 109.708 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.21 51.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.206 1.002 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.52 111.16 2.63 Favored Pre-proline 0 N--CA 1.436 -1.136 0 C-N-CA 125.814 1.646 . . . . 0.0 108.092 175.387 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -61.55 103.73 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.661 1.574 . . . . 0.0 108.913 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.402 HG21 ' CE1' ' A' ' 14' ' ' HIS . 2.3 t -37.02 -44.6 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 126.178 1.791 . . . . 0.0 113.24 -177.333 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 106.19 0.21 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.793 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.19 -38.14 2.38 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.556 -1.136 . . . . 0.0 114.065 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.261 8.0 pm0 -75.78 156.41 34.57 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.857 1.828 . . . . 0.0 109.377 178.885 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.22 159.17 15.69 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -168.529 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.57 2.22 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 127.352 2.261 . . . . 0.0 112.781 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -56.62 -43.46 80.24 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.489 1.515 . . . . 0.0 111.238 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -79.74 -52.29 8.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.7 mt -50.61 -62.35 1.65 Allowed 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 125.381 1.472 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -44.13 -53.59 6.31 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 124.477 1.111 . . . . 0.0 112.374 -179.555 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -57.27 -44.8 84.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.351 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.79 -50.53 62.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.248 -0.882 . . . . 0.0 112.948 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -37.58 78.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.696 1.589 . . . . 0.0 109.95 175.261 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.29 -46.94 88.24 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.184 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.96 -49.68 65.57 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.945 1.259 . . . . 0.0 111.506 178.217 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -58.11 -57.96 10.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.116 0.966 . . . . 0.0 108.399 177.025 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.2 -43.98 67.6 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.901 -0.499 . . . . 0.0 111.787 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.3 -34.4 78.04 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.427 1.091 . . . . 0.0 110.661 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.4 24.82 20.55 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.116 0.865 . . . . 0.0 111.5 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -98.1 -67.92 0.82 Allowed 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.59 74.18 1.06 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.19 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.57 -175.95 27.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -177.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 173.09 39.64 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.77 -51.02 23.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.812 0.845 . . . . 0.0 112.373 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -60.47 -22.84 63.95 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.677 0.791 . . . . 0.0 112.651 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -95.37 -21.97 18.03 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.489 1.116 . . . . 0.0 111.486 -177.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -30.76 -56.47 0.21 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -175.584 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.9 mmm -55.04 -55.36 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 110.497 -179.24 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -57.86 -44.53 86.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.538 0.735 . . . . 0.0 109.635 177.793 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -52.15 -52.34 52.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.151 0.98 . . . . 0.0 108.721 -179.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.94 95.73 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.221 -0.299 . . . . 0.0 110.622 178.062 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.53 65.34 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.096 0.407 . . . . 0.0 110.311 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.1 m -71.87 -27.58 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.668 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -33.76 53.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.723 1.147 . . . . 0.0 110.383 175.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -68.39 -20.83 64.71 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.2 122.63 34.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.196 1.398 . . . . 0.0 109.948 -178.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -170.12 2.64 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.347 0.659 . . . . 0.0 109.808 177.474 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.24 -53.65 50.72 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.43 -47.8 75.43 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 122.238 1.018 . . . . 0.0 110.596 -177.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -56.64 -55.16 37.53 Favored 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 125.827 1.651 . . . . 0.0 109.453 178.498 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.71 -47.73 76.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.419 0.688 . . . . 0.0 111.063 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.01 -49.52 73.44 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.46 78.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.64 -50.56 68.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.45 68.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.221 175.095 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -53.82 -51.7 62.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.83 0.452 . . . . 0.0 111.117 -179.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -52.91 -61.78 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.31 0.576 . . . . 0.0 110.57 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.1 mtm -62.72 -30.27 71.29 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -61.2 -6.87 2.31 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.351 0.978 . . . . 0.0 113.218 177.278 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.48 -11.65 58.34 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.56 1.073 . . . . 0.0 110.63 177.227 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 125.963 1.705 . . . . 0.0 109.983 -178.101 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.164 0 N-CA-C 115.062 0.785 . . . . 0.0 115.062 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.45 -45.82 6.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.49 1.516 . . . . 0.0 113.39 -176.469 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.36 64.64 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 110.681 178.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.62 -39.81 95.31 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.555 1.542 . . . . 0.0 110.122 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.93 -22.78 6.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.333 1.053 . . . . 0.0 113.16 -179.317 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -56.23 -32.67 64.66 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.422 -0.799 . . . . 0.0 110.745 175.052 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -95.81 37.62 1.21 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.866 0.866 . . . . 0.0 110.191 176.728 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -142.33 -46.06 0.33 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 126.036 1.735 . . . . 0.0 110.042 -174.724 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -52.33 139.36 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 171.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.49 -44.66 1.46 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.206 -1.957 . . . . 0.0 108.206 -173.199 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.7 -45.22 6.77 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.678 1.239 . . . . 0.0 107.873 175.815 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.31 -32.44 14.3 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.169 0.587 . . . . 0.0 111.823 -179.708 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.41 172.77 45.82 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.706 0.669 . . . . 0.0 111.994 178.137 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.92 -47.92 8.46 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.407 1.483 . . . . 0.0 112.185 -178.091 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.73 -98.98 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 174.739 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.11 56.44 0.05 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 176.334 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -152.88 1.9 0.3 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.053 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -73.47 167.76 20.63 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.869 1.668 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.56 124.35 22.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.275 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.25 -133.35 0.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 1.4 ptm -77.0 63.3 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.92 -169.89 24.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 -173.583 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 134.47 43.22 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.972 0.909 . . . . 0.0 110.861 179.382 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.88 141.3 17.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.029 0.532 . . . . 0.0 110.114 -179.073 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.78 136.27 86.85 Favored Pre-proline 0 N--CA 1.437 -1.083 0 C-N-CA 125.365 1.466 . . . . 0.0 107.864 172.497 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.27 138.08 35.4 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 108.185 -1.506 . . . . 0.0 108.185 177.345 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -36.25 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 C-N-CA 122.44 0.296 . . . . 0.0 110.532 -179.593 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -37.69 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.29 1.836 . . . . 0.0 112.277 -177.235 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.02 42.14 99.71 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 117.253 -1.859 . . . . 0.0 115.644 177.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.11 -64.99 0.72 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 121.45 2.625 . . . . 0.0 108.008 174.633 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.04 129.79 1.13 Allowed Glycine 0 CA--C 1.523 0.577 0 CA-C-N 112.888 -1.96 . . . . 0.0 108.971 173.646 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.2 -41.53 3.83 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.773 1.787 . . . . 0.0 112.886 -178.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.37 -55.23 37.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.06 0.544 . . . . 0.0 110.451 176.698 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.96 -58.66 7.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.077 1.351 . . . . 0.0 108.281 -179.376 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 38.0 mt -52.96 -46.33 68.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.099 1.36 . . . . 0.0 111.07 -178.764 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -60.94 -51.24 70.12 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 118.71 0.687 . . . . 0.0 110.952 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -60.22 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.939 -179.347 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.1 -51.45 69.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.094 0.958 . . . . 0.0 111.066 179.466 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -63.97 -42.19 97.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.476 0.71 . . . . 0.0 110.579 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.55 -42.28 98.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.669 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.47 -48.46 75.99 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 177.369 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.4 -53.04 62.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 123.559 0.744 . . . . 0.0 109.063 176.591 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.45 -46.58 66.5 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.397 0.679 . . . . 0.0 111.848 178.734 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.72 -39.14 90.85 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.097 0.559 . . . . 0.0 110.194 178.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 -8.62 45.86 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.759 1.171 . . . . 0.0 111.366 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -62.62 -63.69 1.14 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.568 1.147 . . . . 0.0 108.303 179.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.14 66.28 3.71 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 175.202 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.85 -118.06 0.44 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -177.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.43 -52.2 2.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.26 0.933 . . . . 0.0 114.478 176.505 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.41 -145.04 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.168 0.987 . . . . 0.0 110.657 -178.22 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -41.98 -39.95 2.05 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.423 1.489 . . . . 0.0 111.21 177.53 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -41.3 -33.14 0.35 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 128.661 2.785 . . . . 0.0 113.216 176.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.16 -47.33 0.28 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.889 1.676 . . . . 0.0 114.554 -179.046 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.9 mmt -58.37 -54.31 48.41 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.627 0.727 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.1 ttp -58.07 -50.73 72.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.319 1.048 . . . . 0.0 108.624 178.185 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -45.45 -58.27 3.48 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.036 0.934 . . . . 0.0 109.559 177.394 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -41.08 92.7 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.017 -178.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.69 7.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.387 0.539 . . . . 0.0 110.533 -179.088 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.4 m -64.89 -30.51 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.991 -0.443 . . . . 0.0 111.379 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -55.71 -25.31 39.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.585 0.629 . . . . 0.0 111.709 178.403 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -70.23 -19.22 63.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.536 0.607 . . . . 0.0 111.963 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.93 39.4 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.488 1.115 . . . . 0.0 111.522 -177.643 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -78.11 167.92 20.68 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 110.043 178.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.64 -49.19 48.18 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.012 -1.055 . . . . 0.0 112.679 -179.396 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.44 -49.66 66.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.545 0.738 . . . . 0.0 110.268 178.421 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.99 -51.09 68.19 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.743 -179.067 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -51.29 -55.36 18.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.575 1.15 . . . . 0.0 109.454 178.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -49.53 73.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.372 0.606 . . . . 0.0 109.977 178.409 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.72 71.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.702 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -73.25 -39.36 65.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -178.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.18 70.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.285 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -52.9 -51.9 59.58 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.09 -57.76 8.59 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.613 0.765 . . . . 0.0 110.344 178.13 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.17 -29.21 65.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.64 0.376 . . . . 0.0 111.76 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -75.83 -3.63 36.19 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.577 177.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -142.0 57.74 1.48 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 -178.063 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 N--CA 1.434 -1.273 0 C-N-CA 126.426 1.891 . . . . 0.0 108.059 -172.458 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 117.042 -1.456 . . . . 0.0 107.552 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -153.61 145.9 23.9 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 119.572 1.078 . . . . 0.0 109.408 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -19.91 -60.31 0.01 OUTLIER Glycine 0 CA--C 1.528 0.866 0 C-N-CA 128.299 2.857 . . . . 0.0 115.685 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -45.38 -46.37 13.15 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.657 0.783 . . . . 0.0 112.107 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.65 98.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.778 0.431 . . . . 0.0 111.289 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -67.55 -44.05 79.2 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -50.66 -40.68 54.09 Favored 'General case' 0 C--N 1.339 0.117 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -44.04 -40.63 4.94 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -73.47 -42.91 61.32 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 122.247 1.022 . . . . 0.0 111.091 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -54.91 -32.77 61.46 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 129.016 2.926 . . . . 0.0 111.241 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.8 mt -45.15 -37.62 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 124.026 0.931 . . . . 0.0 109.794 174.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.0 -36.44 27.5 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-O 119.247 -0.752 . . . . 0.0 113.384 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.14 -23.71 10.28 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.51 1.155 . . . . 0.0 112.842 -176.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -107.41 -21.11 13.04 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 -174.12 55.29 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 109.669 -1.372 . . . . 0.0 109.669 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.37 -72.98 0.13 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.238 -0.566 . . . . 0.0 110.35 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.74 51.31 1.86 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.757 1.223 . . . . 0.0 110.153 -177.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 22.39 60.29 0.03 OUTLIER Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.605 3.003 . . . . 0.0 116.218 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 73.9 m -141.06 -4.57 1.16 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 115.759 1.763 . . . . 0.0 115.759 -176.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.9 ptmm? -68.75 158.89 33.36 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 121.266 1.848 . . . . 0.0 110.532 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.55 122.56 16.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.4 -139.38 0.08 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.4 mtt -73.74 72.12 1.49 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.174 -1.046 . . . . 0.0 108.174 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.39 -165.25 29.9 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 p -65.27 116.09 6.25 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.054 0.942 . . . . 0.0 109.344 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.39 149.76 48.47 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.88 0.872 . . . . 0.0 108.781 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -61.13 133.59 92.77 Favored Pre-proline 0 N--CA 1.433 -1.321 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -71.23 142.25 41.14 Favored 'Trans proline' 0 N--CA 1.445 -1.349 0 N-CA-C 108.998 -1.193 . . . . 0.0 108.998 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 t -70.57 -36.92 67.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.993 1.317 . . . . 0.0 108.99 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -20.08 92.8 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 128.07 2.548 . . . . 0.0 112.418 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.93 48.68 3.38 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 126.72 2.105 . . . . 0.0 115.419 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -53.68 -54.52 36.67 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.031 1.916 . . . . 0.0 108.357 175.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.82 143.19 3.63 Favored Glycine 0 C--O 1.223 -0.576 0 C-N-CA 127.71 2.576 . . . . 0.0 109.946 172.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.24 -41.23 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 124.988 1.315 . . . . 0.0 111.847 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.02 -55.56 32.53 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.081 0.553 . . . . 0.0 110.252 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -56.98 -59.77 4.57 Favored 'General case' 0 N--CA 1.434 -1.228 0 C-N-CA 125.622 1.569 . . . . 0.0 109.15 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.526 HD23 HMA3 ' A' ' 80' ' ' HEC . 56.6 mt -54.68 -45.75 73.97 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 124.742 1.217 . . . . 0.0 110.57 -178.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -59.11 -53.38 59.01 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 118.641 0.655 . . . . 0.0 110.363 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -58.91 -47.02 86.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.742 0.246 . . . . 0.0 111.541 -178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -65.71 -49.47 68.37 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 121.937 -0.477 . . . . 0.0 111.268 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.1 ppp? -62.44 -40.34 96.25 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 118.44 0.564 . . . . 0.0 110.012 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -60.45 -48.86 79.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 174.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.13 -50.9 32.36 Favored Glycine 0 C--N 1.336 0.532 0 C-N-CA 125.375 1.464 . . . . 0.0 110.285 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.38 -58.68 6.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.885 0.874 . . . . 0.0 110.19 178.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.18 -45.96 61.94 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.682 0.674 . . . . 0.0 112.638 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -71.27 -35.79 71.48 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.716 0.806 . . . . 0.0 111.122 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.2 14.64 35.32 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.573 1.082 . . . . 0.0 111.628 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -40.13 42.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.965 0.906 . . . . 0.0 108.77 177.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -106.22 136.49 45.85 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 106.106 -1.813 . . . . 0.0 106.106 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.83 -169.84 41.51 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.164 -1.174 . . . . 0.0 110.164 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 165.18 173.63 33.98 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 107.27 -2.332 . . . . 0.0 107.27 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -40.57 -69.08 0.14 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.797 1.239 . . . . 0.0 112.841 -176.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -60.44 -25.03 65.66 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 112.963 0.727 . . . . 0.0 112.963 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -73.13 -21.92 60.63 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.709 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -41.88 -51.65 4.25 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -177.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.5 ttt -57.38 -54.27 48.71 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.336 0.588 . . . . 0.0 110.013 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.2 ttp -54.73 -45.64 74.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.588 0.755 . . . . 0.0 110.144 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -57.61 6.97 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.836 1.254 . . . . 0.0 108.797 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.05 -36.03 82.13 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.763 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.83 -52.7 64.39 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.981 0.809 . . . . 0.0 110.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.9 m -71.77 -29.46 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 118.756 -0.64 . . . . 0.0 111.516 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -47.37 -32.03 4.52 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.972 0.909 . . . . 0.0 112.461 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -57.56 -34.16 68.88 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 123.22 0.608 . . . . 0.0 111.527 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 123.3 18.13 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.142 0.977 . . . . 0.0 110.636 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.93 -69.57 0.51 Allowed 'General case' 0 C--O 1.228 -0.077 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -157.67 -55.36 0.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 122.888 0.475 . . . . 0.0 110.502 -176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -54.21 -49.56 69.13 Favored 'General case' 0 C--O 1.226 -0.183 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -53.71 -53.14 56.35 Favored 'General case' 0 N--CA 1.433 -1.286 0 C-N-CA 127.92 2.488 . . . . 0.0 109.88 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.6 mt -54.93 -55.16 33.72 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.585 0.629 . . . . 0.0 110.446 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.15 -51.92 67.73 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.595 0.712 . . . . 0.0 110.772 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.8 -32.47 73.99 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.232 -178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 HMB1 ' A' ' 80' ' ' HEC . 1.8 tp -66.34 -45.52 79.94 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.37 -52.72 64.39 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.435 175.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -52.29 -51.43 58.59 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.213 0.205 . . . . 0.0 111.181 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -56.52 -57.35 12.71 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.133 0.973 . . . . 0.0 109.996 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 mtm -57.22 -29.7 63.96 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.953 0.501 . . . . 0.0 111.672 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 t -70.89 -3.85 21.33 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 117.814 -1.088 . . . . 0.0 113.096 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -134.29 45.48 2.59 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 106.316 -1.735 . . . . 0.0 106.316 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.7 tp . . . . . 0 N--CA 1.426 -1.629 0 N-CA-C 105.571 -2.011 . . . . 0.0 105.571 -172.081 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.719 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 117.712 -1.137 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.0 t70 60.36 -149.86 0.42 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 81.29 -62.32 4.49 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.94 -48.06 32.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.877 1.271 . . . . 0.0 112.063 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.57 -48.01 63.27 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.427 0.691 . . . . 0.0 111.506 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -71.28 -41.37 70.1 Favored 'General case' 0 N--CA 1.435 -1.201 0 C-N-CA 124.029 0.932 . . . . 0.0 109.77 177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -50.04 -30.6 11.11 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 125.163 1.385 . . . . 0.0 112.441 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -46.8 -26.34 0.94 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.928 0.891 . . . . 0.0 112.371 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -84.47 -25.3 29.0 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.901 1.281 . . . . 0.0 112.386 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.96 -35.41 14.72 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 126.19 1.796 . . . . 0.0 111.056 -175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 pt -52.98 142.3 5.97 Favored 'Isoleucine or valine' 0 C--N 1.342 0.278 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.7 -46.56 1.15 Allowed Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.4 t -88.92 -53.69 4.48 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.361 1.58 . . . . 0.0 107.935 178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.07 -14.43 25.79 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -178.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.84 163.21 13.41 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 123.752 0.692 . . . . 0.0 111.979 -177.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.41 -43.89 62.09 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.575 1.15 . . . . 0.0 112.439 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -83.4 -3.67 57.76 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.095 0.958 . . . . 0.0 112.92 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.42 13.32 58.15 Favored Glycine 0 CA--C 1.53 1.02 0 CA-C-O 119.238 -0.757 . . . . 0.0 113.808 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -95.91 -17.57 20.96 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -173.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -78.7 45.4 0.59 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 120.656 1.571 . . . . 0.0 113.205 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.62 -113.04 0.75 Allowed 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -161.49 -159.32 0.62 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 128.385 2.674 . . . . 0.0 104.803 170.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -81.44 65.24 6.49 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.617 1.099 . . . . 0.0 108.779 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.85 170.06 18.1 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 107.513 -2.235 . . . . 0.0 107.513 -177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.8 m -71.98 65.4 0.55 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.069 0.948 . . . . 0.0 111.3 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.92 154.62 17.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.792 1.237 . . . . 0.0 109.588 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -60.26 115.16 12.08 Favored Pre-proline 0 N--CA 1.435 -1.193 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 144.34 97.25 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 CA-C-N 119.93 1.011 . . . . 0.0 109.639 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -51.4 36.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 177.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.8 tptp 39.12 -96.91 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.822 1.649 . . . . 0.0 108.796 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.02 59.14 0.44 Allowed Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 173.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -41.35 -53.91 3.17 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.072 1.415 . . . . 0.0 109.823 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.07 132.45 1.34 Allowed Glycine 0 CA--C 1.524 0.655 0 CA-C-N 112.19 -2.277 . . . . 0.0 108.888 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -44.81 9.84 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 119.767 1.783 . . . . 0.0 113.438 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.47 -48.91 77.53 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 118.786 0.721 . . . . 0.0 110.0 179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -60.16 3.68 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.108 1.763 . . . . 0.0 108.809 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD23 HMA3 ' A' ' 80' ' ' HEC . 23.2 mt -57.23 -46.73 82.69 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.549 1.54 . . . . 0.0 110.418 -177.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -58.87 -52.21 66.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -59.38 -50.69 72.99 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 111.479 0.177 . . . . 0.0 111.479 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -60.51 -50.75 72.33 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 123.794 0.838 . . . . 0.0 111.367 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.1 ppp? -63.71 -40.16 96.09 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.026 -0.421 . . . . 0.0 110.052 -178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -59.96 -44.5 94.4 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.79 -53.33 22.25 Favored Glycine 0 C--N 1.335 0.485 0 C-N-CA 125.937 1.732 . . . . 0.0 109.559 176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -61.88 -49.45 76.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 118.971 -0.538 . . . . 0.0 110.884 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.09 -53.07 61.49 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.146 0.578 . . . . 0.0 111.784 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.96 -38.46 86.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.424 0.69 . . . . 0.0 110.813 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.88 2.33 36.61 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.536 1.065 . . . . 0.0 111.384 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -37.95 89.27 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.218 1.009 . . . . 0.0 109.077 176.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -106.74 142.3 36.6 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 105.161 -2.163 . . . . 0.0 105.161 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.94 -161.81 35.58 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 119.153 0.888 . . . . 0.0 111.442 -178.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.32 -169.6 38.46 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 106.447 -2.661 . . . . 0.0 106.447 -176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -60.4 -76.59 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 117.986 0.893 . . . . 0.0 111.455 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -53.0 -38.54 62.4 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.368 0.604 . . . . 0.0 111.535 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -50.42 -31.27 14.53 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.954 1.301 . . . . 0.0 111.21 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.54 -41.03 6.14 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.6 mmt -62.07 -52.04 65.52 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.519 0.676 . . . . 0.0 109.994 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.406 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.0 ttp -57.27 -50.56 72.52 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.607 1.163 . . . . 0.0 108.63 178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 m -48.73 -55.61 10.95 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.777 1.231 . . . . 0.0 109.747 176.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.82 -43.38 90.61 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 120.105 -0.638 . . . . 0.0 110.331 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.42 -59.66 5.0 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.201 0.455 . . . . 0.0 110.865 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 57' ' ' MET . 21.3 m -62.58 -30.16 48.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.617 -0.677 . . . . 0.0 111.877 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -56.98 -25.82 58.93 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.13 0.877 . . . . 0.0 111.237 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -70.72 -19.29 62.76 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.666 0.666 . . . . 0.0 111.832 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.08 132.74 35.38 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.85 1.26 . . . . 0.0 111.469 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.6 m -79.63 167.89 20.09 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -46.11 -45.17 16.23 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -57.33 -48.74 78.18 Favored 'General case' 0 N--CA 1.435 -1.191 0 C-N-CA 124.621 1.168 . . . . 0.0 110.255 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.91 -45.66 81.14 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.255 1.822 . . . . 0.0 110.479 -179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -52.5 -52.99 51.78 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -60.83 -41.67 96.23 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 121.811 -0.556 . . . . 0.0 110.297 176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.21 -39.42 75.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -52.9 63.5 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 119.216 0.916 . . . . 0.0 108.738 177.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -47.07 74.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.656 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -54.15 -53.92 46.72 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.134 0.574 . . . . 0.0 111.45 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -52.16 -59.92 3.81 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.896 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.6 mtm -57.53 -46.65 83.61 Favored 'General case' 0 N--CA 1.437 -1.11 0 C-N-CA 124.453 1.101 . . . . 0.0 111.537 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.9 t -73.93 30.73 0.08 Allowed 'General case' 0 CA--C 1.538 0.519 0 O-C-N 120.03 -1.669 . . . . 0.0 113.205 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -153.64 34.66 0.45 Allowed 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.433 -1.316 0 C-N-CA 126.616 1.966 . . . . 0.0 107.51 -174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.708 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -74.58 50.21 0.42 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -175.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.94 -59.68 2.19 Favored Glycine 0 CA--C 1.529 0.919 0 O-C-N 121.211 -0.931 . . . . 0.0 113.91 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -37.7 -55.22 1.16 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 113.545 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.02 -37.32 52.97 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.408 1.083 . . . . 0.0 112.05 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.69 -52.88 6.71 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.338 1.055 . . . . 0.0 108.397 177.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -44.57 -43.09 7.83 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 125.661 1.584 . . . . 0.0 112.947 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -47.05 -30.27 2.59 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.92 -46.18 37.58 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 121.807 0.813 . . . . 0.0 110.233 177.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.1 m -58.56 -31.29 67.84 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.1 1.76 . . . . 0.0 109.984 -176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 47.7 mt -43.75 -37.3 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.278 0 C-N-CA 124.429 1.092 . . . . 0.0 110.949 175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.05 -38.79 6.24 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 123.342 0.496 . . . . 0.0 112.519 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.0 m -106.89 -36.98 6.49 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.42 0.688 . . . . 0.0 111.41 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -87.05 -16.61 35.12 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -172.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.5 174.64 46.46 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 108.394 -1.883 . . . . 0.0 108.394 -173.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.72 46.13 0.44 Allowed 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.186 -1.185 . . . . 0.0 112.477 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 179.93 -47.13 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.062 1.345 . . . . 0.0 112.356 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 122.35 53.54 0.21 Allowed Glycine 0 C--N 1.335 0.479 0 N-CA-C 108.979 -1.649 . . . . 0.0 108.979 -175.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.0 p -110.88 -57.7 2.2 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.173 1.389 . . . . 0.0 114.139 -172.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -66.71 31.66 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 118.471 2.767 . . . . 0.0 118.471 -167.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.57 21.93 0.09 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.569 2.348 . . . . 0.0 117.261 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 33.88 -123.67 0.09 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.0 1.72 . . . . 0.0 113.269 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 99.6 mmm -68.37 79.68 0.25 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.544 0.688 . . . . 0.0 111.825 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.08 -55.53 3.14 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.814 1.197 . . . . 0.0 115.669 171.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.5 m -151.13 46.3 0.83 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 118.997 1.398 . . . . 0.0 113.541 -174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.83 141.54 49.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 118.928 -0.558 . . . . 0.0 109.779 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -60.81 130.46 90.79 Favored Pre-proline 0 CA--C 1.534 0.327 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -53.28 140.13 62.68 Favored 'Trans proline' 0 N--CA 1.449 -1.112 0 C-N-CA 121.045 1.163 . . . . 0.0 111.456 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.5 t -82.7 -32.7 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.567 1.147 . . . . 0.0 110.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -37.95 99.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.758 1.623 . . . . 0.0 111.66 -177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 52.74 44.43 60.56 Favored Glycine 0 CA--C 1.537 1.418 0 CA-C-O 117.537 -1.702 . . . . 0.0 115.585 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -53.06 -57.37 10.62 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 121.103 2.451 . . . . 0.0 110.325 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 159.44 150.68 5.9 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 127.148 2.308 . . . . 0.0 109.376 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.74 -39.87 88.12 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.677 1.738 . . . . 0.0 111.176 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mp0 -59.69 -58.06 10.22 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.38 -62.31 1.56 Allowed 'General case' 0 N--CA 1.432 -1.355 0 C-N-CA 126.618 1.967 . . . . 0.0 109.319 177.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD23 HMA3 ' A' ' 80' ' ' HEC . 34.9 mt -53.11 -62.21 1.8 Allowed 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.714 0.806 . . . . 0.0 109.62 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -46.04 -51.97 12.74 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 119.616 1.098 . . . . 0.0 112.042 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -57.0 -46.89 81.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.678 178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -61.25 -56.23 22.96 Favored 'General case' 0 N--CA 1.44 -0.927 0 CA-C-O 117.948 -1.025 . . . . 0.0 111.131 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.415 ' SD ' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -53.86 -44.16 70.15 Favored 'General case' 0 C--N 1.347 0.459 0 CA-C-N 120.518 1.508 . . . . 0.0 110.576 178.123 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -61.26 -46.78 88.95 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.279 0.491 . . . . 0.0 110.687 177.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.8 -49.76 64.55 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 124.278 0.942 . . . . 0.0 111.122 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -60.82 -53.91 51.63 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.485 0.714 . . . . 0.0 109.63 177.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.27 -44.77 72.14 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 122.964 0.506 . . . . 0.0 111.32 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.95 -36.73 85.32 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.948 0.899 . . . . 0.0 110.249 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.82 18.17 28.27 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.407 1.003 . . . . 0.0 111.735 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 p -89.4 -63.52 1.28 Allowed 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 178.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -76.77 67.37 2.83 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.343 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.52 -145.18 5.81 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.267 0.937 . . . . 0.0 110.795 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 155.85 -145.91 13.18 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 109.344 -1.502 . . . . 0.0 109.344 -176.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.78 -87.79 0.05 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.326 1.05 . . . . 0.0 111.899 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ptp180 -51.65 -32.79 30.81 Favored 'General case' 0 C--N 1.345 0.401 0 CA-C-N 119.645 1.112 . . . . 0.0 110.943 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -46.48 -25.83 0.75 Allowed 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 128.141 2.576 . . . . 0.0 112.762 175.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.38 -40.67 50.27 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.817 -0.552 . . . . 0.0 110.731 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.1 mtp -59.9 -52.77 63.99 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.2 mmm -52.87 -52.0 59.03 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.107 1.363 . . . . 0.0 110.151 178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 m -48.54 -57.76 5.69 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.437 1.495 . . . . 0.0 108.961 178.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.35 -41.5 93.77 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -54.78 43.19 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 117.876 0.307 . . . . 0.0 110.479 -178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.24 -33.46 60.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 119.094 -0.479 . . . . 0.0 111.446 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -29.79 39.31 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.945 0.793 . . . . 0.0 111.579 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -68.17 -19.98 64.84 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.2 27.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.071 1.348 . . . . 0.0 110.549 -177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -89.7 171.91 9.31 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.536 1.134 . . . . 0.0 109.825 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -50.28 -47.68 55.33 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.249 -0.907 . . . . 0.0 112.641 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -51.45 -54.7 24.26 Favored 'General case' 0 C--N 1.338 0.102 0 CA-C-O 122.037 0.922 . . . . 0.0 109.872 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -61.51 -47.48 85.41 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.728 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -57.29 -48.48 78.8 Favored 'General case' 0 N--CA 1.441 -0.913 0 C-N-CA 124.726 1.21 . . . . 0.0 109.723 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -58.19 -47.74 82.49 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.96 -37.15 86.35 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.8 mt -62.0 -50.6 71.41 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.18 -57.24 11.16 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 123.222 0.326 . . . . 0.0 110.796 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -51.55 -47.48 63.4 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 122.676 0.39 . . . . 0.0 111.378 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.57 -57.8 11.36 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 122.756 0.422 . . . . 0.0 110.372 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.442 ' HE1' HMB3 ' A' ' 80' ' ' HEC . 21.3 mtm -59.4 -26.99 65.61 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.857 0.863 . . . . 0.0 112.952 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.7 m -66.01 -19.97 66.03 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 118.623 0.647 . . . . 0.0 112.565 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -118.04 48.49 1.39 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 19.0 tp . . . . . 0 N--CA 1.43 -1.426 0 CA-C-O 116.375 -1.774 . . . . 0.0 108.939 -170.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.688 HMB1 HBB3 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.675 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.083 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -39.84 84.09 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 128.055 2.542 . . . . 0.0 116.4 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.88 -64.2 0.9 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 126.202 1.858 . . . . 0.0 114.465 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.32 -51.4 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.43 1.492 . . . . 0.0 112.392 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.58 -41.1 89.48 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.885 0.474 . . . . 0.0 112.252 -179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -69.45 -49.77 51.82 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 123.535 0.734 . . . . 0.0 109.666 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -46.25 -38.99 9.23 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 -174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -44.43 -37.3 3.33 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 125.427 1.491 . . . . 0.0 111.922 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.53 -50.75 34.35 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.024 0.916 . . . . 0.0 110.218 178.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.0 m -57.27 -38.3 73.7 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 127.15 2.18 . . . . 0.0 110.467 -175.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.5 mt -47.16 -34.49 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.058 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.3 -36.72 10.85 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.256 0.455 . . . . 0.0 112.4 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -105.19 -38.4 6.56 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.564 0.746 . . . . 0.0 110.831 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -79.51 -21.68 44.97 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.975 1.842 . . . . 0.0 115.975 -173.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.65 46.7 73.77 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 124.266 0.936 . . . . 0.0 114.49 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 64.67 -70.19 0.08 Allowed 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.252 1.421 . . . . 0.0 112.324 177.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -80.36 31.02 0.28 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.264 1.026 . . . . 0.0 112.303 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 29.2 47.24 0.08 OUTLIER Glycine 0 CA--C 1.531 1.032 0 C-N-CA 127.601 2.525 . . . . 0.0 116.169 177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -135.78 -18.7 1.62 Allowed 'General case' 0 CA--C 1.528 0.129 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -174.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -64.91 150.54 47.63 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.78 1.173 . . . . 0.0 109.729 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.56 125.92 25.57 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.31 -131.11 0.07 Allowed 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.4 mmt -74.29 69.7 1.61 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.78 -161.01 30.48 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 p -66.11 111.86 3.61 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.32 1.048 . . . . 0.0 109.498 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.39 130.24 47.4 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.864 1.265 . . . . 0.0 108.62 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.95 110.04 1.09 Allowed Pre-proline 0 N--CA 1.448 -0.544 0 C-N-CA 125.604 1.561 . . . . 0.0 109.389 176.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.68 113.77 1.39 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.12 2.547 . . . . 0.0 114.678 -175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 t -45.8 -43.35 4.31 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 C-N-CA 125.335 1.454 . . . . 0.0 110.654 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -29.88 87.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.29 2.636 . . . . 0.0 111.353 178.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.11 52.84 9.71 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.952 1.263 . . . . 0.0 115.895 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -53.29 -50.57 64.62 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 123.631 1.682 . . . . 0.0 108.041 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.46 153.16 6.02 Favored Glycine 0 C--O 1.227 -0.291 1 C-N-CA 131.406 4.336 . . . . 0.0 106.239 178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.55 98.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 117.813 0.806 . . . . 0.0 110.822 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -59.83 -54.94 40.34 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.279 0.632 . . . . 0.0 109.887 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -52.42 -56.75 12.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 125.918 1.687 . . . . 0.0 109.679 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -52.41 -65.45 0.56 Allowed 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -42.9 -49.94 5.83 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 124.184 0.994 . . . . 0.0 112.409 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -53.34 -47.94 68.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.756 0.253 . . . . 0.0 110.82 178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.62 -47.64 53.21 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-O 117.492 -1.242 . . . . 0.0 112.104 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 121.316 1.871 . . . . 0.0 110.152 176.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -66.2 -47.84 72.6 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.92 -51.92 42.55 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.341 0.972 . . . . 0.0 111.085 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -58.73 -55.58 33.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 109.456 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.57 -40.55 75.41 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 121.513 -0.742 . . . . 0.0 111.976 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -67.11 -39.13 86.64 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.273 1.029 . . . . 0.0 109.676 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.25 30.39 8.26 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.416 1.008 . . . . 0.0 110.954 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -100.62 -71.4 0.71 Allowed 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 106.511 -1.663 . . . . 0.0 106.511 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.74 134.66 53.64 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 174.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.32 -172.55 44.55 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.07 162.24 26.12 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 107.319 -2.312 . . . . 0.0 107.319 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -49.04 -55.8 10.96 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.426 1.113 . . . . 0.0 111.598 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -57.19 -23.46 47.87 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -89.74 -1.78 58.09 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 124.837 1.255 . . . . 0.0 111.464 -176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.81 -51.93 58.89 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.688 1.131 . . . . 0.0 113.46 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -55.72 -56.18 23.56 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.308 0.575 . . . . 0.0 109.489 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 33.2 ttp -52.12 -47.4 65.35 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.39 1.076 . . . . 0.0 110.171 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 97.4 m -54.16 -52.79 60.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.046 0.938 . . . . 0.0 109.03 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -40.85 90.23 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 122.124 -0.36 . . . . 0.0 110.417 178.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.65 -56.3 23.96 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 118.115 0.416 . . . . 0.0 110.15 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.5 m -64.03 -30.55 50.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 O-C-N 121.698 -0.626 . . . . 0.0 111.6 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -55.9 -31.3 62.73 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.005 0.82 . . . . 0.0 109.991 176.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -79.45 -11.71 59.9 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.208 0.603 . . . . 0.0 112.359 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.64 143.2 26.63 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.748 1.219 . . . . 0.0 110.363 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.8 p -87.62 171.44 10.47 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -53.31 -41.24 65.45 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.799 -0.563 . . . . 0.0 112.486 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.3 mp0 -59.9 -52.55 64.93 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.668 1.187 . . . . 0.0 109.668 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.82 -50.36 72.62 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.737 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.9 mt -56.26 -52.79 63.18 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 124.704 1.201 . . . . 0.0 111.534 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -56.7 -45.52 81.77 Favored 'General case' 0 C--N 1.338 0.08 0 CA-C-N 118.351 0.523 . . . . 0.0 110.393 177.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.6 -32.83 74.41 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 tp -66.72 -48.22 69.91 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.024 -1.473 . . . . 0.0 107.024 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.96 -55.65 25.15 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 114.696 -1.138 . . . . 0.0 110.09 174.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -53.49 -45.74 69.75 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.04 0.536 . . . . 0.0 111.039 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -56.46 -59.62 4.71 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -60.62 -26.7 67.21 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 123.515 0.726 . . . . 0.0 112.945 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.4 p -68.02 -18.93 64.85 Favored 'General case' 0 N--CA 1.443 -0.823 0 O-C-N 121.258 -0.902 . . . . 0.0 112.481 177.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -106.74 41.87 1.38 Allowed 'General case' 0 C--N 1.341 0.23 0 C-N-CA 123.312 0.645 . . . . 0.0 110.971 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 N--CA 1.426 -1.641 0 C-N-CA 126.335 1.854 . . . . 0.0 106.032 177.753 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.64 HBB2 ' HHC' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 117.394 -1.289 . . . . 0.0 107.622 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -155.33 -101.63 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 124.195 0.998 . . . . 0.0 108.811 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.26 -57.33 3.67 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.108 1.337 . . . . 0.0 110.456 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.56 -51.47 15.47 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.937 0.895 . . . . 0.0 112.685 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.5 -39.95 88.97 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.112 -0.368 . . . . 0.0 111.739 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mp -63.92 -44.02 94.17 Favored 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 124.776 1.23 . . . . 0.0 110.255 -178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -51.58 -43.73 62.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -30.24 -64.6 0.12 Allowed 'General case' 0 N--CA 1.44 -0.96 0 C-N-CA 126.551 1.94 . . . . 0.0 113.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -53.1 -37.09 61.43 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -61.99 -24.63 67.15 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.347 1.459 . . . . 0.0 111.104 -176.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.8 mt -49.09 -34.16 6.44 Favored 'Isoleucine or valine' 0 C--N 1.341 0.223 0 C-N-CA 123.475 0.71 . . . . 0.0 109.563 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.54 -36.88 6.32 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.018 0.818 . . . . 0.0 113.076 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 41.4 m -113.01 -31.4 6.69 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-N 118.094 0.947 . . . . 0.0 111.475 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -97.84 -19.71 17.97 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.73 165.09 34.62 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -176.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.69 -61.77 2.0 Favored 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 123.808 0.843 . . . . 0.0 111.063 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -90.4 36.93 0.89 Allowed 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 123.915 0.886 . . . . 0.0 112.032 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.71 36.99 1.83 Allowed Glycine 0 CA--C 1.531 1.06 0 C-N-CA 126.47 1.986 . . . . 0.0 114.175 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -83.29 -41.41 18.33 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 125.789 1.636 . . . . 0.0 113.508 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -64.78 131.16 46.05 Favored 'General case' 0 N--CA 1.421 -1.886 0 C-N-CA 123.841 0.857 . . . . 0.0 110.707 -176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.5 41.21 0.25 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.154 1.382 . . . . 0.0 111.555 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 44.46 -142.34 0.2 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 126.138 1.775 . . . . 0.0 111.765 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.1 mmt -115.47 43.04 2.13 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.62 1.168 . . . . 0.0 108.38 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.3 44.78 0.09 OUTLIER Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.001 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 48.79 45.0 22.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.839 0.855 . . . . 0.0 112.221 178.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.06 146.66 54.41 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 122.863 0.465 . . . . 0.0 110.751 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 132.51 95.05 Favored Pre-proline 0 C--O 1.234 0.269 0 N-CA-C 102.913 -2.995 . . . . 0.0 102.913 170.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -57.57 139.12 89.2 Favored 'Trans proline' 0 N--CA 1.446 -1.314 0 N-CA-C 108.977 -1.201 . . . . 0.0 108.977 -175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.4 t -62.62 -43.73 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -27.8 89.28 0.0 OUTLIER 'General case' 0 C--N 1.342 0.271 0 C-N-CA 128.28 2.632 . . . . 0.0 112.194 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.75 41.78 5.88 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.547 -1.14 . . . . 0.0 115.84 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.313 5.5 pt20 -58.6 -36.24 73.69 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.432 1.616 . . . . 0.0 110.531 178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.18 135.55 2.26 Favored Glycine 0 C--O 1.218 -0.903 0 C-N-CA 126.203 1.859 . . . . 0.0 111.586 168.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -51.98 -36.61 50.25 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.573 2.187 . . . . 0.0 112.362 -178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -63.28 -55.63 23.18 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -49.14 -61.03 2.29 Favored 'General case' 0 N--CA 1.458 -0.031 0 C-N-CA 125.898 1.679 . . . . 0.0 108.857 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 HMA3 ' A' ' 80' ' ' HEC . 76.0 mt -53.69 -50.02 66.77 Favored 'General case' 0 N--CA 1.426 -1.659 0 C-N-CA 127.314 2.246 . . . . 0.0 110.711 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -60.21 -47.52 85.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 119.482 1.037 . . . . 0.0 110.837 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -60.44 -52.78 63.77 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.758 0.313 . . . . 0.0 111.657 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.0 -41.98 81.44 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 123.8 0.84 . . . . 0.0 110.905 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -67.16 -42.24 84.65 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.673 0.67 . . . . 0.0 109.799 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -63.12 -40.46 97.67 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' HA3' ' HB3' ' A' ' 49' ' ' TYR . . . -43.48 -63.69 2.06 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 127.533 2.492 . . . . 0.0 110.178 172.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -60.29 -49.92 75.68 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 113.875 -1.163 . . . . 0.0 110.256 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.5 -37.31 72.77 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.38 0.672 . . . . 0.0 112.074 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -72.56 -45.15 60.64 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.78 -5.72 34.93 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 124.147 0.879 . . . . 0.0 111.866 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 p -68.3 -60.99 2.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.15 -1.426 . . . . 0.0 107.15 176.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.434 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . 43.7 t80 -76.35 74.31 3.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.93 -177.36 42.17 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 142.74 162.46 9.27 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.711 1.148 . . . . 0.0 110.912 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 42.3 -118.41 0.45 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.301 1.84 . . . . 0.0 111.116 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -58.24 -32.83 68.7 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 124.092 0.957 . . . . 0.0 111.873 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -73.48 -13.03 60.98 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 124.0 0.92 . . . . 0.0 110.927 -177.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.0 80.51 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 118.232 0.469 . . . . 0.0 111.493 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 77.6 mtm -58.07 -56.13 26.01 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.354 0.662 . . . . 0.0 109.459 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.452 ' O ' HG22 ' A' ' 61' ' ' VAL . 8.3 ttp -52.78 -51.54 60.29 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.712 1.205 . . . . 0.0 109.077 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -47.97 -57.65 5.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.248 1.019 . . . . 0.0 109.883 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -37.74 87.48 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 119.223 -0.991 . . . . 0.0 110.812 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.53 -62.16 2.06 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.518 0.599 . . . . 0.0 110.407 178.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 57' ' ' MET . 13.8 m -63.56 -28.49 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 O-C-N 121.787 -0.571 . . . . 0.0 112.054 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.48 -29.01 14.92 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.284 0.947 . . . . 0.0 112.169 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -63.59 -30.31 71.44 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 118.832 0.742 . . . . 0.0 111.89 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.54 128.98 36.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.849 1.26 . . . . 0.0 111.363 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -86.3 175.77 8.27 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 174.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -47.44 -44.58 25.02 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.618 1.71 . . . . 0.0 115.618 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -57.54 -51.36 69.77 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.913 0.863 . . . . 0.0 110.32 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.03 -52.02 67.57 Favored 'General case' 0 N--CA 1.428 -1.556 0 C-N-CA 126.528 1.931 . . . . 0.0 109.866 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.2 mt -53.97 -55.13 29.99 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.58 0.752 . . . . 0.0 109.869 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.46 -49.85 69.12 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.955 0.902 . . . . 0.0 109.714 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -33.08 74.94 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-O 118.973 -0.537 . . . . 0.0 112.35 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.5 tp -68.31 -46.3 70.66 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.75 -52.28 64.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -53.61 -49.98 66.66 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.393 0.277 . . . . 0.0 110.947 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.86 -59.78 4.39 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.215 0.606 . . . . 0.0 110.201 179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.5 mtm -54.11 -29.29 44.29 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.717 0.807 . . . . 0.0 112.43 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.0 t -74.29 -1.82 22.36 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.41 -0.805 . . . . 0.0 112.696 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -138.56 50.12 1.88 Allowed 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 -177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 C--O 1.253 1.285 0 CA-C-O 115.821 -2.038 . . . . 0.0 106.11 -171.577 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.452 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 118.22 -0.895 . . . . 0.0 109.15 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -52.07 152.66 3.06 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 124.337 1.055 . . . . 0.0 110.425 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.0 -69.74 2.42 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.941 -1.264 . . . . 0.0 109.941 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.68 -54.72 42.84 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.116 1.366 . . . . 0.0 111.758 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.03 -47.14 75.15 Favored 'General case' 0 C--O 1.226 -0.136 0 C-N-CA 122.393 0.277 . . . . 0.0 111.158 -178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.79 -43.42 88.8 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.398 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -53.49 -30.64 42.18 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -53.27 -34.56 57.73 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.901 -0.499 . . . . 0.0 111.423 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -82.32 6.27 17.51 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.606 0.762 . . . . 0.0 113.002 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -120.51 -37.32 3.04 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 125.946 1.698 . . . . 0.0 109.173 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.5 mt -47.52 151.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.211 0 C-N-CA 124.435 1.094 . . . . 0.0 108.19 172.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 89.7 -51.61 3.59 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-O 117.966 -1.463 . . . . 0.0 109.505 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.4 t -76.26 -46.84 26.12 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.845 1.822 . . . . 0.0 107.116 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.544 ' CE1' HG21 ' A' ' 29' ' ' VAL . 57.2 m-70 -76.42 -21.75 55.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.363 1.465 . . . . 0.0 112.006 176.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.64 -128.15 9.48 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 106.727 -2.549 . . . . 0.0 106.727 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -111.97 -70.15 0.83 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 177.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -84.71 49.91 1.8 Allowed 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 125.005 1.322 . . . . 0.0 110.981 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 28.8 47.88 0.08 OUTLIER Glycine 0 CA--C 1.532 1.151 0 C-N-CA 128.092 2.758 . . . . 0.0 116.296 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.9 m -107.6 -18.98 13.7 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -175.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -65.02 121.45 14.72 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 120.035 1.289 . . . . 0.0 110.929 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.24 41.93 0.55 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.89 0.876 . . . . 0.0 109.604 174.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.12 -114.88 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 131.212 3.805 . . . . 0.0 118.295 -170.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 49.7 mtm -61.69 91.99 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -175.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.86 59.28 4.82 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 124.895 1.236 . . . . 0.0 114.801 171.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.7 m 58.9 55.6 4.47 Favored 'General case' 0 CA--C 1.528 0.13 0 C-N-CA 124.125 0.97 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.3 146.3 50.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.643 177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 mttp -63.72 143.51 98.02 Favored Pre-proline 0 CA--C 1.535 0.404 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -65.14 146.3 86.53 Favored 'Trans proline' 0 N--CA 1.45 -1.071 0 N-CA-C 108.34 -1.446 . . . . 0.0 108.34 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' A' ' 14' ' ' HIS . 12.3 t -93.41 -29.29 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.459 0.703 . . . . 0.0 110.932 -174.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.3 tttm -36.45 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 126.309 1.844 . . . . 0.0 111.432 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.4 47.16 51.63 Favored Glycine 0 CA--C 1.536 1.351 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.115 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -53.5 -50.55 65.15 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 120.875 2.337 . . . . 0.0 108.956 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 153.09 155.15 7.01 Favored Glycine 0 C--O 1.222 -0.618 0 C-N-CA 128.701 3.048 . . . . 0.0 109.202 173.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.11 99.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 118.062 0.931 . . . . 0.0 111.972 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.73 -53.2 57.94 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -50.51 -61.51 2.14 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 125.825 1.65 . . . . 0.0 109.002 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD23 HMA3 ' A' ' 80' ' ' HEC . 47.4 mt -52.64 -61.51 2.24 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 124.149 0.98 . . . . 0.0 109.182 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -44.07 -52.65 6.99 Favored 'General case' 0 C--O 1.228 -0.061 0 CA-C-N 119.168 0.895 . . . . 0.0 111.74 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -58.06 -46.65 85.05 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.94 0.15 . . . . 0.0 110.793 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -61.23 -57.26 13.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.506 0.722 . . . . 0.0 111.542 178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -40.31 86.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 120.156 1.344 . . . . 0.0 111.202 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -60.85 -46.74 89.4 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.46 -48.31 77.11 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.277 0.942 . . . . 0.0 111.127 178.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -56.38 -53.72 53.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.53 -46.24 77.09 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.755 0.822 . . . . 0.0 111.787 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -61.71 -36.56 81.29 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.907 0.883 . . . . 0.0 109.719 177.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.05 24.48 29.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 p -93.33 -65.4 1.0 Allowed 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 106.268 -1.753 . . . . 0.0 106.268 177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -74.94 71.28 2.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 175.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.81 170.11 41.1 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.363 -1.095 . . . . 0.0 110.363 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 161.47 160.81 11.13 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 108.538 -1.825 . . . . 0.0 108.538 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 34.06 -114.47 0.07 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.647 1.979 . . . . 0.0 112.684 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -53.69 -31.58 48.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.545 1.538 . . . . 0.0 112.984 -177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -78.55 -6.65 56.09 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.474 0.71 . . . . 0.0 111.873 -175.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -53.34 -41.77 66.08 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 118.854 0.752 . . . . 0.0 111.078 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -59.1 -47.9 83.56 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.33 0.652 . . . . 0.0 109.733 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.447 ' O ' HG22 ' A' ' 61' ' ' VAL . 1.4 mtm -58.53 -52.61 64.91 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.6 m -47.47 -56.13 7.65 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.042 0.537 . . . . 0.0 109.685 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.56 -47.97 78.33 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.767 0.712 . . . . 0.0 110.778 179.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.27 -60.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.919 0.327 . . . . 0.0 111.074 -178.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 57' ' ' MET . 8.6 m -70.91 -23.42 23.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.752 -0.593 . . . . 0.0 112.415 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -59.4 -29.84 68.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 120.04 1.291 . . . . 0.0 109.928 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -73.41 -12.4 60.8 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.28 -168.2 2.15 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.454 1.502 . . . . 0.0 109.214 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.0 m -157.31 176.96 12.0 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.897 1.679 . . . . 0.0 108.254 177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -44.03 -53.26 6.45 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 114.881 1.438 . . . . 0.0 114.881 -173.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.08 -54.68 14.93 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.557 1.143 . . . . 0.0 110.521 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -60.7 -51.59 68.74 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 113.996 -1.457 . . . . 0.0 110.268 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.3 mt -56.47 -49.82 73.54 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 124.953 1.301 . . . . 0.0 111.14 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -58.62 -50.5 73.59 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 177.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.08 -34.72 78.19 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.465 0.542 . . . . 0.0 112.465 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.93 -51.6 67.47 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.23 -54.77 39.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.724 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -50.4 -43.99 54.83 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.21 0.604 . . . . 0.0 111.223 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -57.69 -60.78 3.16 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.401 0.619 . . . . 0.0 109.889 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.7 mtm -59.61 -24.56 63.92 Favored 'General case' 0 N--CA 1.446 -0.628 0 C-N-CA 124.137 0.975 . . . . 0.0 113.334 -178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.0 m -67.54 -17.64 64.73 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 123.813 0.845 . . . . 0.0 112.719 174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -131.64 64.32 1.59 Allowed 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 26.5 tp . . . . . 0 N--CA 1.428 -1.54 0 CA-C-O 116.462 -1.733 . . . . 0.0 107.814 -172.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.795 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 117.264 -1.35 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -150.21 169.03 22.3 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 123.72 0.808 . . . . 0.0 108.851 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -29.57 -53.26 0.17 Allowed Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.751 2.119 . . . . 0.0 114.549 177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.52 98.93 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.767 0.784 . . . . 0.0 112.594 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.06 57.11 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mp -49.8 -48.5 50.65 Favored 'General case' 0 N--CA 1.437 -1.124 0 C-N-CA 125.325 1.45 . . . . 0.0 111.636 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -47.31 -31.8 4.19 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.376 1.07 . . . . 0.0 113.747 -175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.9 mtpt -48.49 -39.72 24.06 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 117.959 0.345 . . . . 0.0 110.923 178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -62.91 -22.66 66.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.98 -23.86 22.53 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 124.818 1.247 . . . . 0.0 111.36 -176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.4 mt -54.61 141.59 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.01 -42.44 1.9 Allowed Glycine 0 CA--C 1.521 0.468 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -175.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.7 m -96.76 -40.99 8.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 118.628 1.214 . . . . 0.0 108.65 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -105.56 -27.96 11.06 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 115.566 1.691 . . . . 0.0 115.566 -173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.57 -159.1 20.39 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 110.352 -1.099 . . . . 0.0 110.352 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.63 -47.0 28.34 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.25 1.025 . . . . 0.0 112.757 -177.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.3 p-10 -85.44 -65.06 1.05 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.208 0.603 . . . . 0.0 109.91 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.64 41.79 0.03 OUTLIER Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.964 1.745 . . . . 0.0 109.851 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.7 p -101.53 -38.91 7.76 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -172.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -58.96 134.73 57.22 Favored 'General case' 0 N--CA 1.424 -1.747 0 C-N-CA 124.139 0.976 . . . . 0.0 113.195 -172.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.01 115.11 7.93 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.66 -122.82 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.938 0.895 . . . . 0.0 110.445 -177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.8 mtp -69.1 83.42 0.34 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.67 -167.35 38.57 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.6 m -69.34 57.81 0.11 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 126.152 1.781 . . . . 0.0 113.406 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.86 137.24 57.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 124.282 1.033 . . . . 0.0 110.048 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -56.32 119.61 29.18 Favored Pre-proline 0 N--CA 1.435 -1.185 0 C-N-CA 124.528 1.131 . . . . 0.0 108.063 174.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -52.23 136.84 55.1 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.888 1.725 . . . . 0.0 110.197 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.9 t -85.1 -35.05 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.935 0.894 . . . . 0.0 109.585 -175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.56 113.42 0.64 Allowed 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.451 1.1 . . . . 0.0 108.744 176.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.44 31.0 77.99 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 116.941 -2.033 . . . . 0.0 117.596 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -59.51 -48.11 82.91 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.176 2.988 . . . . 0.0 108.154 172.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.76 143.19 4.27 Favored Glycine 0 C--O 1.219 -0.786 0 C-N-CA 128.886 3.136 . . . . 0.0 109.988 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.76 -48.25 15.41 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 125.181 1.392 . . . . 0.0 114.654 -177.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -48.32 73.99 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.731 0.696 . . . . 0.0 109.899 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -61.22 2.21 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 126.058 1.743 . . . . 0.0 107.904 177.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.0 mt -53.31 -63.42 1.15 Allowed 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 126.585 1.954 . . . . 0.0 109.221 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -41.69 -53.0 3.74 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.5 0.72 . . . . 0.0 110.956 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -59.17 -44.36 92.15 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -69.09 -44.73 71.91 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 118.154 -0.926 . . . . 0.0 112.433 178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.13 -41.51 90.38 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 121.251 1.841 . . . . 0.0 108.75 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -55.73 -44.43 77.52 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.46 ' CA ' ' HB3' ' A' ' 49' ' ' TYR . . . -43.66 -67.05 1.1 Allowed Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 128.789 3.09 . . . . 0.0 110.71 173.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.46 -49.17 78.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 113.909 -1.145 . . . . 0.0 110.43 -178.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.23 -38.92 74.51 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.569 0.747 . . . . 0.0 111.747 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.06 -42.41 66.29 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.04 -15.09 40.28 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 123.983 0.801 . . . . 0.0 111.267 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 p -61.27 -61.13 2.77 Favored 'General case' 0 C--N 1.339 0.121 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' HB3' ' CA ' ' A' ' 43' ' ' GLY . 55.0 t80 -76.58 72.22 3.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 175.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.73 179.97 30.41 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.377 -0.689 . . . . 0.0 111.377 -178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -171.03 162.39 35.26 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 106.996 -2.441 . . . . 0.0 106.996 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -43.75 -55.18 4.6 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.106 0.953 . . . . 0.0 113.5 -176.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.5 ptt85 -59.86 -26.92 66.23 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -92.26 -1.96 56.76 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.156 1.383 . . . . 0.0 111.069 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.56 -44.87 66.13 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.991 0.814 . . . . 0.0 112.11 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 19.8 ptp -59.21 -46.07 89.43 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.687 0.395 . . . . 0.0 110.934 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.5 ttp -61.3 -50.25 73.75 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.8 m -46.68 -53.11 12.35 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.701 0.8 . . . . 0.0 109.618 175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.64 -43.31 99.1 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 119.178 0.899 . . . . 0.0 110.765 179.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.7 70.24 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.113 0.415 . . . . 0.0 110.618 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 24.2 m -78.71 -21.38 12.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 118.781 -0.628 . . . . 0.0 112.49 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -53.97 -35.51 61.87 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 120.079 1.308 . . . . 0.0 109.76 176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -63.83 -22.16 66.78 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.696 0.798 . . . . 0.0 112.244 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.72 121.15 27.98 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.127 1.371 . . . . 0.0 111.127 -177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -82.75 -176.98 6.56 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 173.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -51.93 -49.57 62.86 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -54.51 -52.78 60.9 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.975 0.893 . . . . 0.0 109.302 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.5 -51.07 69.89 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.305 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.0 mt -57.19 -51.02 71.0 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 123.373 0.669 . . . . 0.0 110.496 179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -57.56 -44.21 85.1 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.16 87.9 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 122.29 -0.256 . . . . 0.0 111.641 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD21 HMB1 ' A' ' 80' ' ' HEC . 9.4 tp -59.4 -49.64 77.02 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.71 -53.9 53.13 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.938 176.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -48.67 -51.74 26.85 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.84 0.856 . . . . 0.0 111.279 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -49.8 -63.48 1.1 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.675 0.79 . . . . 0.0 110.211 178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 17.3 mtm -61.82 -24.35 66.82 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.5 t -79.82 1.36 27.2 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 117.961 -1.018 . . . . 0.0 112.631 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -135.42 48.6 2.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 106.218 -1.771 . . . . 0.0 106.218 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.429 -1.488 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -174.135 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.424 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.563 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 34.57 39.37 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.859 2.464 . . . . 0.0 116.694 173.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.19 -65.62 1.58 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.431 -0.793 . . . . 0.0 111.731 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.13 -46.55 8.76 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 126.151 1.781 . . . . 0.0 113.184 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.39 -33.9 71.94 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 118.539 0.609 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -41.05 -42.0 1.83 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.584 1.554 . . . . 0.0 113.839 -176.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -48.57 -39.5 23.88 Favored 'General case' 0 N--CA 1.438 -1.069 0 C-N-CA 124.918 1.287 . . . . 0.0 111.636 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -65.79 -22.65 66.59 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.319 1.048 . . . . 0.0 113.112 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -87.21 -24.78 24.31 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.525 1.53 . . . . 0.0 111.155 -175.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.65 146.17 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.1 -47.95 1.33 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 108.447 -1.861 . . . . 0.0 108.447 -175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -86.0 -44.69 12.13 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.974 1.387 . . . . 0.0 107.419 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -93.5 -32.32 14.22 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 112.71 -172.28 14.48 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.04 -69.44 0.28 Allowed 'General case' 0 C--O 1.225 -0.213 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -69.61 -48.96 58.29 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.892 0.877 . . . . 0.0 109.302 176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.81 48.29 0.09 OUTLIER Glycine 0 CA--C 1.53 1.024 0 C-N-CA 126.478 1.99 . . . . 0.0 109.97 177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -98.2 -27.37 14.2 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 126.761 2.024 . . . . 0.0 115.181 -173.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -80.5 144.02 32.85 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 119.834 1.197 . . . . 0.0 111.203 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.8 90.61 0.8 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.525 0.73 . . . . 0.0 110.375 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.64 143.78 3.62 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.303 0.641 . . . . 0.0 110.065 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.0 mtp 47.13 35.72 3.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.391 1.076 . . . . 0.0 111.413 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.52 34.33 27.15 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.976 1.274 . . . . 0.0 113.171 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.8 p -163.73 -28.14 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.51 143.55 40.28 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -175.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -63.69 142.84 98.05 Favored Pre-proline 0 C--O 1.234 0.274 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 168.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -66.06 150.24 85.42 Favored 'Trans proline' 0 N--CA 1.445 -1.324 0 N-CA-C 108.817 -1.263 . . . . 0.0 108.817 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 m -92.48 -33.07 5.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 C-N-CA 122.971 0.509 . . . . 0.0 111.363 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.3 113.65 0.86 Allowed 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -177.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.63 33.73 83.39 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 117.057 -1.968 . . . . 0.0 116.64 177.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -58.88 -55.38 35.86 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 122.048 2.924 . . . . 0.0 107.828 173.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.35 142.47 3.41 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 111.983 -2.371 . . . . 0.0 109.535 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.3 76.69 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 119.344 1.572 . . . . 0.0 112.138 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -49.67 72.22 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -50.27 -61.05 2.39 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.366 1.066 . . . . 0.0 108.905 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.57 -60.06 3.8 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 124.398 1.079 . . . . 0.0 109.393 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -43.75 -57.53 3.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 119.566 1.076 . . . . 0.0 111.231 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -51.65 -49.27 62.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.317 -1.311 . . . . 0.0 110.711 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -62.39 -55.61 26.22 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.08 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -41.26 80.23 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 120.361 1.437 . . . . 0.0 110.668 177.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -62.71 -47.86 81.76 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.11 -52.64 34.66 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 125.78 1.657 . . . . 0.0 110.664 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.1 -59.02 6.0 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 123.742 0.817 . . . . 0.0 109.164 179.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -50.41 -45.62 55.74 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.104 0.561 . . . . 0.0 112.096 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -67.53 -39.07 85.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.628 0.771 . . . . 0.0 110.916 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.9 12.71 27.22 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 124.679 1.133 . . . . 0.0 111.647 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.78 -41.6 26.19 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 176.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -96.34 151.57 19.4 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.81 -164.14 31.13 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 108.708 -1.757 . . . . 0.0 108.708 -177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.38 112.11 1.15 Allowed Glycine 0 CA--C 1.531 1.066 0 CA-C-N 117.76 0.78 . . . . 0.0 112.105 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 46.95 -107.2 0.16 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.797 1.639 . . . . 0.0 111.359 176.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -52.15 -35.41 48.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.969 1.707 . . . . 0.0 111.791 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -67.84 -5.52 17.01 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.974 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.83 98.14 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.926 0.784 . . . . 0.0 110.454 175.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -62.22 -53.11 59.92 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 tpt -48.68 -52.69 22.05 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.077 1.751 . . . . 0.0 109.289 176.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 33.7 m -53.32 -54.88 30.02 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.284 1.034 . . . . 0.0 110.043 177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.87 -40.65 76.55 Favored 'General case' 0 CA--C 1.529 0.141 0 CA-C-O 119.206 -0.426 . . . . 0.0 110.635 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.95 -58.47 8.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.01 0.368 . . . . 0.0 110.518 -179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.9 p -66.28 -32.58 58.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 O-C-N 121.874 -0.516 . . . . 0.0 112.336 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -54.9 -24.19 22.34 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.79 0.836 . . . . 0.0 112.436 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -72.19 -17.8 61.9 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.79 0.723 . . . . 0.0 112.092 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.7 179.07 6.32 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.836 1.254 . . . . 0.0 111.099 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.8 t -127.0 162.94 24.82 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 124.433 1.093 . . . . 0.0 110.074 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -42.98 -49.87 5.93 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.095 1.358 . . . . 0.0 113.964 -174.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -55.86 -44.36 77.99 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 123.836 0.854 . . . . 0.0 111.057 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.41 -54.19 46.78 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.2 mt -50.67 -50.17 55.46 Favored 'General case' 0 N--CA 1.442 -0.836 0 C-N-CA 124.238 1.015 . . . . 0.0 112.233 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -50.6 70.44 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.352 0.596 . . . . 0.0 109.689 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.43 75.1 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.287 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.409 HD21 HMB1 ' A' ' 80' ' ' HEC . 1.6 tp -65.68 -49.88 66.97 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.77 -54.04 47.32 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.556 174.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -53.68 -51.73 62.28 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.372 -0.205 . . . . 0.0 110.895 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -54.16 -57.01 12.75 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.321 1.048 . . . . 0.0 110.629 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.6 mtm -63.11 -26.91 69.04 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 121.805 -0.559 . . . . 0.0 112.101 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.3 t -76.87 6.06 6.79 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.186 175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -134.07 43.54 2.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 105.998 -1.852 . . . . 0.0 105.998 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.4 mt . . . . . 0 N--CA 1.43 -1.43 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 -174.109 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.473 HMB1 HBB3 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.621 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -44.26 110.18 0.2 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.125 2.17 . . . . 0.0 115.414 -175.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.11 -69.51 1.3 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.759 1.647 . . . . 0.0 114.255 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.07 -57.98 9.52 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.431 1.492 . . . . 0.0 114.111 -170.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.73 -35.62 63.9 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 123.16 0.584 . . . . 0.0 111.774 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.95 -56.72 4.6 Favored 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -48.1 -41.24 25.78 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.616 1.166 . . . . 0.0 113.8 -174.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -49.6 -32.24 12.37 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.778 0.717 . . . . 0.0 112.522 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.96 -44.73 53.87 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 122.758 1.266 . . . . 0.0 110.166 177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -58.34 -33.36 69.44 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 129.342 3.057 . . . . 0.0 110.938 -175.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.1 mt -46.03 -35.87 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.78 0.832 . . . . 0.0 109.332 173.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.47 -39.28 10.01 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.882 -0.954 . . . . 0.0 113.028 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.5 m -116.87 -12.14 10.79 Favored 'General case' 0 C--N 1.342 0.265 0 CA-C-N 118.714 1.257 . . . . 0.0 112.555 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -121.49 -5.79 9.27 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.585 1.328 . . . . 0.0 114.585 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.04 -160.47 38.6 Favored Glycine 0 CA--C 1.526 0.779 0 O-C-N 121.162 -0.961 . . . . 0.0 111.576 178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.79 -55.5 5.43 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -80.49 45.57 0.78 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.194 1.397 . . . . 0.0 113.097 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 25.83 53.54 0.06 OUTLIER Glycine 0 CA--C 1.533 1.178 0 C-N-CA 127.947 2.689 . . . . 0.0 114.713 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.0 p -121.89 -109.06 0.34 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 118.024 0.912 . . . . 0.0 111.653 -175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt 41.06 110.93 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 129.954 3.302 . . . . 0.0 114.966 -175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.43 68.22 2.08 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.65 -91.45 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.373 1.469 . . . . 0.0 111.436 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 mmt -75.46 70.58 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 177.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.79 -172.28 54.83 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 -177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 m -64.59 69.2 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.079 1.752 . . . . 0.0 113.247 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.72 123.27 20.06 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.218 1.007 . . . . 0.0 110.288 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.58 131.26 63.98 Favored Pre-proline 0 CA--C 1.537 0.445 0 N-CA-C 106.915 -1.513 . . . . 0.0 106.915 173.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.94 93.96 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 121.709 1.606 . . . . 0.0 111.526 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.434 HG22 ' C1A' ' A' ' 80' ' ' HEC . 2.9 t -27.9 -47.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.135 0 C-N-CA 129.371 3.068 . . . . 0.0 113.436 177.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -31.47 95.04 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.459 2.304 . . . . 0.0 111.12 176.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 64.58 42.74 97.26 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 117.824 -1.542 . . . . 0.0 116.942 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.15 -50.8 68.37 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.096 1.948 . . . . 0.0 106.75 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 143.74 3.76 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 128.573 2.987 . . . . 0.0 108.082 173.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.99 -42.4 76.29 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 121.249 2.524 . . . . 0.0 111.432 -179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -58.11 -57.86 11.0 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.155 0.502 . . . . 0.0 109.715 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -50.76 -57.94 7.14 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 126.025 1.73 . . . . 0.0 109.614 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 HD23 HMA3 ' A' ' 80' ' ' HEC . 51.1 mt -51.07 -61.02 2.49 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 108.644 179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -45.8 -55.07 7.04 Favored 'General case' 0 N--CA 1.461 0.092 0 CA-C-N 119.312 0.96 . . . . 0.0 112.119 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -53.35 -46.19 69.43 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 123.166 0.291 . . . . 0.0 110.881 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -67.09 -42.04 85.31 Favored 'General case' 0 N--CA 1.444 -0.726 0 C-N-CA 124.395 1.078 . . . . 0.0 111.404 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.72 ' SD ' HMA1 ' A' ' 80' ' ' HEC . 1.8 mmt -58.68 -47.86 83.06 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 120.884 1.675 . . . . 0.0 108.62 175.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -58.24 -44.84 88.46 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.96 -64.77 1.59 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 127.865 2.65 . . . . 0.0 111.409 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -65.67 -51.73 57.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 113.66 -1.27 . . . . 0.0 109.772 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.14 -38.37 65.4 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.977 -0.452 . . . . 0.0 111.761 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -93.22 20.2 7.23 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 122.698 0.399 . . . . 0.0 111.598 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 45.15 31.54 3.09 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 124.991 1.281 . . . . 0.0 113.562 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -99.59 -43.73 6.39 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.562 1.145 . . . . 0.0 108.396 -178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -95.06 135.33 36.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.08 -171.69 42.51 Favored Glycine 0 CA--C 1.522 0.507 0 CA-C-N 119.999 1.272 . . . . 0.0 111.447 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.5 170.68 27.65 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 107.383 -2.287 . . . . 0.0 107.383 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mp0 -50.35 -55.16 16.82 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.971 0.885 . . . . 0.0 110.297 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -58.27 -22.02 50.88 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.436 1.094 . . . . 0.0 113.151 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -92.75 -24.57 18.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.078 0.951 . . . . 0.0 112.094 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.58 -58.43 0.49 Allowed 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 115.997 1.851 . . . . 0.0 115.997 -173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.6 ttt -54.31 -53.8 48.87 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.093 0.473 . . . . 0.0 110.671 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -55.44 -47.91 75.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.814 0.846 . . . . 0.0 109.552 177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.0 m -52.36 -53.71 41.14 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.034 0.934 . . . . 0.0 109.11 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -41.38 98.66 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.812 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.76 -60.07 4.42 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.086 0.403 . . . . 0.0 110.781 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.24 -31.83 52.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 121.802 -0.561 . . . . 0.0 111.081 -178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -58.12 -24.58 59.3 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 121.403 -0.81 . . . . 0.0 112.044 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -75.89 -7.39 54.42 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.878 0.763 . . . . 0.0 112.229 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.64 -169.32 1.68 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.863 1.265 . . . . 0.0 111.173 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.6 m -149.22 158.36 44.11 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 124.683 1.193 . . . . 0.0 107.951 176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -40.46 -49.13 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -173.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -51.97 -53.64 39.04 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 122.028 0.918 . . . . 0.0 109.97 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.16 -48.5 81.28 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 114.341 -1.3 . . . . 0.0 109.221 -178.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 67.5 mt -55.48 -50.87 68.77 Favored 'General case' 0 N--CA 1.441 -0.902 0 C-N-CA 124.487 1.115 . . . . 0.0 111.551 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 mtmm -58.87 -45.88 89.12 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.95 76.5 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 178.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD21 HMB1 ' A' ' 80' ' ' HEC . 4.9 tp -62.31 -50.06 73.15 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.97 -51.34 69.59 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.032 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -51.41 -52.21 47.97 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.612 0.365 . . . . 0.0 110.752 177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -52.84 -62.45 1.64 Allowed 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.176 0.991 . . . . 0.0 110.442 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.48 -22.66 66.42 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.4 t -87.17 11.46 13.97 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.099 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 56.1 mttp -137.98 43.78 2.21 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.422 -1.864 0 C-N-CA 127.459 2.304 . . . . 0.0 105.844 -173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.72 HMA1 ' SD ' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 118.349 -0.834 . . . . 0.0 108.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -58.22 149.4 24.23 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.215 0.606 . . . . 0.0 109.618 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.59 -71.39 2.53 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 107.388 -2.285 . . . . 0.0 107.388 -176.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -46.63 -47.9 19.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.969 1.707 . . . . 0.0 111.949 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -48.96 -35.89 16.18 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.475 1.11 . . . . 0.0 112.914 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.44 -47.84 6.95 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -44.6 -43.68 8.32 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.805 1.242 . . . . 0.0 112.198 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.7 pptp? -42.06 -38.77 1.75 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.3 m -79.63 -41.71 26.43 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.863 0.756 . . . . 0.0 110.705 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.57 -30.98 33.74 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 127.517 2.327 . . . . 0.0 112.031 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.02 -38.86 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.844 1.258 . . . . 0.0 110.157 174.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -41.26 -41.94 3.08 Favored Glycine 0 CA--C 1.528 0.897 0 C-N-CA 124.053 0.835 . . . . 0.0 112.773 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.1 m -111.42 -45.65 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 118.261 1.03 . . . . 0.0 110.699 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' CE1' HG21 ' A' ' 29' ' ' VAL . 98.3 m-70 -87.16 -4.04 59.09 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -174.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.67 -178.09 32.83 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 120.837 -1.165 . . . . 0.0 111.1 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.79 -51.27 65.55 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -157.95 76.75 0.8 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.749 0.819 . . . . 0.0 108.803 -174.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 178.65 -27.2 0.06 OUTLIER Glycine 0 CA--C 1.523 0.585 0 C-N-CA 119.337 -1.411 . . . . 0.0 115.942 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 t 67.74 85.44 0.14 Allowed 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.879 1.339 . . . . 0.0 111.081 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -57.92 163.62 2.62 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.95 72.15 1.59 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.767 -1.198 . . . . 0.0 107.767 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -172.1 0.16 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.967 1.307 . . . . 0.0 111.558 -177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 98.1 mmm -23.89 111.71 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.714 2.006 . . . . 0.0 113.611 -177.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.88 32.67 77.96 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 123.697 0.665 . . . . 0.0 113.369 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m 57.73 55.1 5.72 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 124.005 0.922 . . . . 0.0 109.798 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.83 142.42 29.33 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 114.853 -1.067 . . . . 0.0 113.71 -175.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.1 mtmt -54.33 121.64 32.79 Favored Pre-proline 0 N--CA 1.438 -1.051 0 C-N-CA 125.652 1.581 . . . . 0.0 107.813 173.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -56.01 131.73 47.73 Favored 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 121.037 1.158 . . . . 0.0 111.51 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.523 HG21 ' CE1' ' A' ' 14' ' ' HIS . 8.3 t -80.0 -32.17 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 124.487 1.115 . . . . 0.0 109.764 -178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -37.65 99.45 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.723 2.409 . . . . 0.0 109.952 172.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 38.38 96.3 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -60.32 -54.0 50.89 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 120.401 2.101 . . . . 0.0 107.448 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.56 145.08 4.05 Favored Glycine 0 C--O 1.22 -0.733 0 C-N-CA 127.98 2.705 . . . . 0.0 110.347 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.66 -44.37 37.62 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 124.067 0.947 . . . . 0.0 112.976 -178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -64.64 -51.75 60.96 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 118.524 0.602 . . . . 0.0 109.932 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -51.19 -58.47 6.05 Favored 'General case' 0 C--N 1.339 0.152 0 CA-C-O 122.108 0.956 . . . . 0.0 108.68 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.549 HD23 HMA3 ' A' ' 80' ' ' HEC . 64.4 mt -53.31 -61.54 2.23 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 114.133 -1.394 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -43.9 -51.86 7.25 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 124.336 1.054 . . . . 0.0 111.509 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -57.23 -45.84 83.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.177 0.591 . . . . 0.0 111.081 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -67.36 -50.35 60.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.015 1.326 . . . . 0.0 111.896 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.431 ' SD ' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -57.86 -41.74 83.07 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.713 1.597 . . . . 0.0 109.878 174.327 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -61.27 -43.27 99.15 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -42.36 -57.81 3.61 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 128.168 2.794 . . . . 0.0 111.404 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -66.4 -53.52 34.95 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.42 1.488 . . . . 0.0 109.865 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.68 -36.25 56.71 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.181 0.592 . . . . 0.0 111.614 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.91 10.62 4.81 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.998 0.919 . . . . 0.0 111.89 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.58 38.69 14.78 Favored Glycine 0 C--N 1.339 0.744 0 C-N-CA 125.434 1.492 . . . . 0.0 112.21 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.1 m -125.89 -49.02 1.61 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 122.853 0.461 . . . . 0.0 111.404 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -78.49 56.49 1.79 Allowed 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.761 -0.587 . . . . 0.0 111.472 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.11 179.95 20.98 Favored Glycine 0 CA--C 1.523 0.569 0 O-C-N 121.509 -0.744 . . . . 0.0 112.76 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 175.45 -177.52 47.3 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 108.196 -1.962 . . . . 0.0 108.196 178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 44.71 -100.45 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.109 1.764 . . . . 0.0 112.5 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.9 ptt85 -56.5 -28.87 60.98 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.65 0.78 . . . . 0.0 112.24 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -90.89 2.17 56.4 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.697 1.199 . . . . 0.0 111.777 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.57 -43.08 79.64 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.718 0.69 . . . . 0.0 112.674 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -57.94 -57.62 11.99 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.714 0.769 . . . . 0.0 109.524 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 19.2 ttp -53.56 -49.58 67.39 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.513 1.525 . . . . 0.0 109.684 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.6 m -51.93 -57.77 8.46 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.136 0.975 . . . . 0.0 109.529 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.76 -39.67 81.67 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 119.359 -0.353 . . . . 0.0 110.56 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.14 -56.68 18.86 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 30.6 m -66.1 -27.4 40.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.594 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -57.48 -29.17 64.04 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.969 0.804 . . . . 0.0 111.05 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -75.56 -11.24 59.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.062 0.545 . . . . 0.0 112.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -88.32 -158.53 0.48 Allowed 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 125.383 1.473 . . . . 0.0 109.783 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.6 m -143.97 -86.82 0.13 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.891 -0.506 . . . . 0.0 112.082 175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -144.02 -54.36 0.35 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 122.828 0.451 . . . . 0.0 110.288 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -45.75 -51.92 11.86 Favored 'General case' 0 N--CA 1.444 -0.729 0 C-N-CA 125.896 1.679 . . . . 0.0 109.305 176.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -53.74 -54.4 38.65 Favored 'General case' 0 N--CA 1.426 -1.64 0 C-N-CA 128.357 2.663 . . . . 0.0 110.361 176.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.82 -49.01 78.08 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.468 0.707 . . . . 0.0 110.46 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -59.47 -47.3 86.05 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.35 80.35 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.503 HD21 HMB1 ' A' ' 80' ' ' HEC . 13.3 tp -69.11 -43.72 73.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -50.27 73.47 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.74 -50.36 55.68 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.379 177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -47.76 -61.48 1.93 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.229 0.922 . . . . 0.0 110.266 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.1 mtm -65.29 -20.76 66.56 Favored 'General case' 0 N--CA 1.447 -0.615 0 C-N-CA 124.395 1.078 . . . . 0.0 113.328 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -90.47 2.5 55.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 118.205 -0.902 . . . . 0.0 112.261 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -120.69 38.71 3.95 Favored 'General case' 0 N--CA 1.461 0.086 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 N--CA 1.422 -1.861 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -175.092 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.549 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.6 t70 34.77 66.03 0.32 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.092 2.557 . . . . 0.0 116.262 172.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 70.56 -69.95 0.71 Allowed Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.084 1.326 . . . . 0.0 113.502 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.35 -59.42 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 110.75 -176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.88 50.4 1.97 Allowed 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.871 -0.518 . . . . 0.0 111.241 -177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.45 -55.74 0.35 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 129.86 3.264 . . . . 0.0 105.812 170.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -42.25 -41.03 2.61 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 125.157 1.383 . . . . 0.0 112.191 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -37.85 -42.05 0.57 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.132 1.373 . . . . 0.0 112.856 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.3 p -70.68 -47.72 58.42 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.273 0.558 . . . . 0.0 110.829 178.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -57.71 -36.16 71.62 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 126.973 2.109 . . . . 0.0 109.8 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.0 mt -48.22 -36.01 6.04 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 C-N-CA 123.224 0.61 . . . . 0.0 109.939 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.66 -34.43 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-O 119.21 -0.772 . . . . 0.0 112.518 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -38.53 4.83 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.254 1.027 . . . . 0.0 111.741 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.484 ' CE1' HG21 ' A' ' 29' ' ' VAL . 73.5 m-70 -83.22 -22.02 33.24 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.84 -171.98 54.71 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.54 -81.58 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.221 0.608 . . . . 0.0 111.727 -177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -83.96 48.38 1.45 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.67 0.788 . . . . 0.0 111.236 -177.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.79 47.77 0.49 Allowed Glycine 0 CA--C 1.53 0.984 0 C-N-CA 127.126 2.298 . . . . 0.0 113.095 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 p -106.05 -13.08 15.56 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.973 1.709 . . . . 0.0 115.031 -170.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -61.98 153.17 30.21 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 119.249 0.931 . . . . 0.0 112.884 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.35 67.74 3.35 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 105.88 -1.896 . . . . 0.0 105.88 170.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.46 126.28 24.5 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.224 1.01 . . . . 0.0 109.366 -177.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.52 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 29.3 mtp 46.47 33.91 2.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.675 1.19 . . . . 0.0 112.139 -171.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 84.22 -133.29 11.72 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 m -62.57 97.01 0.09 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.308 1.043 . . . . 0.0 111.871 -177.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -147.95 147.67 29.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.645 1.178 . . . . 0.0 108.727 179.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -60.69 122.3 67.31 Favored Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.91 91.24 0.63 Allowed 'Trans proline' 0 N--CA 1.449 -1.136 0 C-N-CA 121.558 1.505 . . . . 0.0 109.146 -179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG21 ' CE1' ' A' ' 14' ' ' HIS . 9.4 t -23.4 -54.58 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.511 -0.527 0 C-N-CA 129.291 3.036 . . . . 0.0 113.971 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 26.63 -92.88 0.01 OUTLIER 'General case' 0 C--N 1.344 0.335 0 O-C-N 126.699 2.499 . . . . 0.0 108.871 -173.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.52 70.15 0.43 Allowed Glycine 0 N--CA 1.444 -0.794 0 CA-C-O 118.59 -1.117 . . . . 0.0 110.44 172.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -44.96 -53.26 7.87 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-O 122.821 1.296 . . . . 0.0 108.783 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.09 138.14 2.36 Favored Glycine 0 C--O 1.225 -0.46 0 C-N-CA 129.261 3.315 . . . . 0.0 107.912 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.74 -49.42 3.09 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.151 1.381 . . . . 0.0 113.155 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.7 mp0 -58.95 -53.13 61.84 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 124.196 0.998 . . . . 0.0 110.082 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -56.9 -53.85 53.21 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.799 1.239 . . . . 0.0 109.396 -178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 58.7 mt -54.78 -60.69 3.02 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 114.783 -1.098 . . . . 0.0 108.528 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -44.25 -56.94 3.76 Favored 'General case' 0 CA--C 1.512 -0.493 0 C-N-CA 124.481 1.112 . . . . 0.0 111.372 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -51.55 -48.69 62.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.764 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -52.76 55.98 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 118.464 -0.779 . . . . 0.0 112.182 179.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . 0.253 0.0 OUTLIER -62.08 -33.13 73.86 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 120.365 1.438 . . . . 0.0 111.215 178.575 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -63.45 -50.25 70.48 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.02 -51.16 30.95 Favored Glycine 0 CA--C 1.526 0.748 0 C-N-CA 124.796 1.188 . . . . 0.0 110.784 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -63.23 -54.32 39.19 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.129 0.972 . . . . 0.0 110.439 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.43 77.64 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.169 0.588 . . . . 0.0 111.407 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -68.37 -45.17 73.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.92 14.62 14.74 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.148 1.356 . . . . 0.0 111.402 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -44.33 24.83 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -95.6 135.39 37.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 176.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.9 -164.88 27.42 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 122.47 143.92 6.59 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 124.131 0.872 . . . . 0.0 111.641 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 47.54 -98.33 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.33 1.852 . . . . 0.0 112.391 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -61.51 -41.14 96.86 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.635 0.731 . . . . 0.0 109.578 179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.5 mttt -80.74 77.05 7.62 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.13 -64.83 0.76 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.904 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.7 tpp -53.94 -54.18 42.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.496 0.665 . . . . 0.0 109.207 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 15.4 ttp -50.5 -53.05 32.93 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.486 1.114 . . . . 0.0 109.532 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.5 m -50.05 -53.52 26.38 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.419 1.088 . . . . 0.0 110.503 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.07 -38.33 90.44 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.772 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.92 -56.13 26.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.478 0.581 . . . . 0.0 109.794 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -65.97 -25.83 37.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-O 118.853 -0.594 . . . . 0.0 111.612 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -58.71 -25.3 62.77 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 119.465 1.029 . . . . 0.0 109.826 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -74.1 -23.73 59.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.365 0.53 . . . . 0.0 111.628 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 132.86 37.58 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.245 1.018 . . . . 0.0 110.921 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.09 164.81 26.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.018 1.327 . . . . 0.0 110.748 -178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -49.67 -47.08 50.38 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 121.394 -0.816 . . . . 0.0 112.755 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -60.89 -46.32 91.07 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.107 0.479 . . . . 0.0 110.083 179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.28 -49.18 76.9 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -57.98 -53.04 62.7 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.425 0.69 . . . . 0.0 110.629 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -54.04 -48.59 70.37 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 121.375 0.607 . . . . 0.0 109.736 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.53 70.71 Favored 'General case' 0 N--CA 1.444 -0.766 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.46 -48.99 59.04 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.69 -54.39 34.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 114.456 -1.247 . . . . 0.0 110.063 173.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -55.2 -50.33 69.65 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.606 0.362 . . . . 0.0 111.364 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -53.8 -57.85 9.37 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.169 0.588 . . . . 0.0 110.404 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 43.1 mtm -60.46 -34.11 73.53 Favored 'General case' 0 N--CA 1.44 -0.929 0 O-C-N 121.865 -0.522 . . . . 0.0 110.762 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -66.46 3.41 0.96 Allowed 'General case' 0 CA--C 1.54 0.587 0 O-C-N 119.983 -1.698 . . . . 0.0 113.229 175.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -139.65 49.59 1.79 Allowed 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.254 1.304 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 -173.233 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.634 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.31 145.22 8.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.261 1.024 . . . . 0.0 110.468 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.68 -63.74 2.66 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 -178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.09 -50.11 67.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.717 0.807 . . . . 0.0 111.525 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.91 -48.38 81.65 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.583 0.23 . . . . 0.0 111.044 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -59.16 -45.13 91.8 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.916 0.886 . . . . 0.0 110.81 -178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -58.83 -27.71 65.35 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -174.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -44.75 -54.46 6.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.652 1.181 . . . . 0.0 112.857 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.8 m -66.52 -41.29 89.02 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 122.147 0.975 . . . . 0.0 111.447 178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -58.13 -38.32 76.31 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 128.029 2.531 . . . . 0.0 110.768 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 64.6 mt -48.08 -36.19 5.85 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 C-N-CA 123.769 0.827 . . . . 0.0 110.181 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.16 -35.6 26.96 Favored Glycine 0 CA--C 1.531 1.058 0 CA-C-O 119.373 -0.681 . . . . 0.0 112.951 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -109.44 -29.24 8.52 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.144 0.972 . . . . 0.0 112.341 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -95.07 -29.86 14.37 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -176.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.87 -172.41 38.68 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.11 -1.196 . . . . 0.0 110.11 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -75.51 0.09 Allowed 'General case' 0 CA--C 1.53 0.184 0 O-C-N 121.846 -0.796 . . . . 0.0 109.138 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -83.18 52.8 2.28 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.294 1.438 . . . . 0.0 109.975 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 21.18 51.36 0.01 OUTLIER Glycine 0 CA--C 1.536 1.377 0 C-N-CA 129.447 3.403 . . . . 0.0 116.956 178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 p -122.79 -17.01 6.97 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -173.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -68.81 150.41 47.86 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 121.044 1.747 . . . . 0.0 110.564 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.29 128.39 36.14 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.3 -135.86 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mtp -74.16 70.36 1.59 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.233 -0.917 . . . . 0.0 108.624 176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.77 -172.75 42.77 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 -175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.5 m -48.87 117.28 2.0 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.415 1.486 . . . . 0.0 111.83 -179.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.18 141.41 32.59 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.165 0.986 . . . . 0.0 108.373 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.6 120.21 47.07 Favored Pre-proline 0 N--CA 1.446 -0.647 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 175.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.56 140.48 65.03 Favored 'Trans proline' 0 N--CA 1.45 -1.087 0 C-N-CA 121.384 1.389 . . . . 0.0 111.234 178.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.3 t -77.96 -28.62 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -35.58 105.27 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.473 1.509 . . . . 0.0 111.331 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 46.25 45.22 15.72 Favored Glycine 0 N--CA 1.437 -1.26 0 C-N-CA 127.213 2.339 . . . . 0.0 114.928 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -67.7 -169.51 0.12 Allowed 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.283 2.041 . . . . 0.0 108.136 171.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.76 124.67 7.38 Favored Glycine 0 C--O 1.225 -0.418 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -39.5 -46.25 1.69 Allowed 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.137 1.375 . . . . 0.0 113.261 175.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -65.14 -46.43 80.96 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.8 0.727 . . . . 0.0 111.134 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -57.63 -54.29 48.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.733 HD23 HMA3 ' A' ' 80' ' ' HEC . 14.7 mt -51.73 -65.04 0.63 Allowed 'General case' 0 N--CA 1.428 -1.546 0 C-N-CA 125.723 1.609 . . . . 0.0 108.877 178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -36.79 -60.97 0.57 Allowed 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.148 1.779 . . . . 0.0 112.035 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -53.15 -53.46 50.13 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.643 -1.617 . . . . 0.0 109.056 179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.75 -51.56 68.85 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 117.854 -1.07 . . . . 0.0 113.453 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.77 -41.26 77.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 121.167 1.803 . . . . 0.0 110.043 175.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -61.29 -45.69 93.42 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.957 0.798 . . . . 0.0 109.482 177.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.55 -47.78 81.56 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 124.584 1.088 . . . . 0.0 111.527 177.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -59.26 -56.09 26.51 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.469 1.108 . . . . 0.0 108.971 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.83 -48.85 66.71 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.029 0.532 . . . . 0.0 110.756 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.66 -32.55 72.73 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.999 0.92 . . . . 0.0 111.069 178.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.06 20.63 41.89 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.961 0.791 . . . . 0.0 111.444 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -91.41 -65.39 1.01 Allowed 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 106.819 -1.548 . . . . 0.0 106.819 176.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -74.17 71.76 1.68 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.54 -142.7 3.99 Favored Glycine 0 CA--C 1.529 0.918 0 N-CA-C 110.137 -1.185 . . . . 0.0 110.137 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.26 127.88 3.57 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.067 0.841 . . . . 0.0 112.024 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 40.82 -103.74 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 127.276 2.231 . . . . 0.0 112.997 178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.4 ptt180 -50.21 -35.89 28.41 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 124.21 1.004 . . . . 0.0 112.044 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.2 mttp -72.11 -8.72 56.23 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 123.871 0.868 . . . . 0.0 112.57 -175.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.34 86.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.119 0.872 . . . . 0.0 111.347 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -58.77 -53.56 57.04 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.41 ' O ' HG23 ' A' ' 61' ' ' VAL . 6.8 ttp -52.05 -50.06 62.22 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.849 0.86 . . . . 0.0 110.013 178.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 m -46.52 -53.34 11.49 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 123.675 0.79 . . . . 0.0 109.8 176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -41.43 98.2 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.437 0.562 . . . . 0.0 110.426 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.78 -49.15 73.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.433 0.56 . . . . 0.0 110.591 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 57' ' ' MET . 2.0 t -71.3 -30.33 39.5 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 O-C-N 121.825 -0.547 . . . . 0.0 110.765 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.35 -25.55 35.7 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.905 0.775 . . . . 0.0 111.749 -178.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -64.39 -23.88 67.44 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 117.965 0.348 . . . . 0.0 111.806 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.46 -173.92 3.56 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.478 1.911 . . . . 0.0 111.208 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 m -161.62 175.56 11.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.615 2.366 . . . . 0.0 105.943 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -38.08 -59.34 0.86 Allowed 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -172.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -54.02 -48.83 70.08 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 118.851 0.75 . . . . 0.0 111.42 -178.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -64.76 -44.82 88.82 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.666 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.0 mt -58.6 -52.23 66.56 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 123.981 0.913 . . . . 0.0 109.349 179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -57.06 -53.19 60.88 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.171 0.588 . . . . 0.0 109.474 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.33 81.2 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.71 -45.68 67.69 Favored 'General case' 0 N--CA 1.436 -1.148 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.09 -52.78 57.51 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.655 0.207 . . . . 0.0 110.596 173.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -54.99 -51.04 67.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.891 0.476 . . . . 0.0 110.425 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -55.7 -62.96 1.34 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.409 0.683 . . . . 0.0 110.604 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.2 mtm -55.7 -31.98 62.92 Favored 'General case' 0 N--CA 1.438 -1.056 0 C-N-CA 124.791 1.236 . . . . 0.0 112.969 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -62.0 -11.22 12.44 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 118.84 -0.6 . . . . 0.0 112.615 175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -137.48 53.64 1.86 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.267 34.3 tp . . . . . 0 N--CA 1.432 -1.333 0 CA-C-O 115.495 -2.193 . . . . 0.0 107.895 -173.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.733 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 116.86 -1.543 . . . . 0.0 108.03 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -156.48 153.24 28.48 Favored 'General case' 0 N--CA 1.458 -0.047 0 CA-C-N 120.032 1.287 . . . . 0.0 110.585 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -25.59 -63.0 0.06 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 127.582 2.515 . . . . 0.0 114.194 176.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.16 -53.65 46.09 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 117.197 0.498 . . . . 0.0 111.467 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.0 -31.72 61.25 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.356 0.662 . . . . 0.0 111.446 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -77.33 -57.07 4.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -51.01 -33.91 27.05 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.323 1.449 . . . . 0.0 113.767 -175.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -21.29 9.56 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -87.05 -22.44 25.45 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.962 1.305 . . . . 0.0 111.929 177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 21.4 m -91.26 -32.87 15.58 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 126.181 1.792 . . . . 0.0 111.823 -173.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.0 pt -53.82 159.91 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.306 0.574 . . . . 0.0 110.034 175.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.27 -54.56 0.74 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.049 -1.22 . . . . 0.0 110.049 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.96 -59.78 2.57 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 105.585 -2.005 . . . . 0.0 105.585 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.429 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 71.9 m-70 -61.37 -34.41 75.27 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 126.507 1.923 . . . . 0.0 112.564 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.2 -137.42 13.66 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 -174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -103.5 -62.79 1.25 Allowed 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 174.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.8 p-10 -67.81 -41.37 83.19 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.803 0.841 . . . . 0.0 110.947 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 114.1 62.33 0.41 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 125.334 1.445 . . . . 0.0 109.675 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -107.15 -30.92 8.49 Favored 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 126.16 1.784 . . . . 0.0 114.106 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -75.72 132.2 40.35 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -171.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.55 72.45 5.07 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 104.942 -2.244 . . . . 0.0 104.942 169.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.44 -105.28 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 126.931 2.092 . . . . 0.0 113.916 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 36.0 mtt -70.8 77.56 0.62 Allowed 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.335 -0.853 . . . . 0.0 109.636 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.36 -173.83 46.44 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.86 0.743 . . . . 0.0 111.246 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -64.89 66.05 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.439 1.895 . . . . 0.0 113.626 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.98 130.97 35.7 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.732 1.213 . . . . 0.0 110.055 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mmtm -62.11 133.08 94.01 Favored Pre-proline 0 C--N 1.345 0.381 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -60.13 141.9 97.17 Favored 'Trans proline' 0 N--CA 1.445 -1.336 0 N-CA-C 108.635 -1.333 . . . . 0.0 108.635 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -74.29 -38.35 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.553 -174.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -31.54 89.45 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.677 2.391 . . . . 0.0 112.579 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.32 48.08 2.82 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.253 1.406 . . . . 0.0 114.333 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.299 5.3 pt20 -57.95 -27.02 63.03 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.855 1.828 . . . . 0.0 112.547 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.91 135.04 1.75 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 126.813 2.149 . . . . 0.0 108.592 172.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.98 92.96 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 120.6 2.2 . . . . 0.0 110.728 -178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -47.64 81.79 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 176.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -48.07 -59.06 3.66 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.983 1.713 . . . . 0.0 109.231 178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' CD2' HMA3 ' A' ' 80' ' ' HEC . 61.7 mt -60.11 -58.26 9.29 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.83 1.252 . . . . 0.0 109.385 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -41.72 -60.3 1.39 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 119.671 1.123 . . . . 0.0 111.506 -178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.21 -45.43 61.89 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.174 179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -69.6 -45.83 67.68 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.471 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.448 ' CE ' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -55.33 -45.95 76.35 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 121.045 1.748 . . . . 0.0 109.27 172.756 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -59.47 -41.59 90.07 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 177.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.58 -63.03 3.3 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 127.954 2.692 . . . . 0.0 110.644 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.48 -52.67 64.64 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 125.205 1.402 . . . . 0.0 110.036 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.88 -40.13 69.42 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.453 0.701 . . . . 0.0 111.569 179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -70.48 -33.62 71.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 177.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.76 -4.76 61.59 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 124.027 0.822 . . . . 0.0 112.285 177.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 p -73.95 -60.04 2.44 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 178.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -74.31 76.43 1.85 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.149 -0.932 . . . . 0.0 108.653 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.77 -171.44 39.65 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 126.97 148.05 6.88 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.515 1.055 . . . . 0.0 111.888 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 48.81 -101.03 0.08 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 126.54 1.936 . . . . 0.0 111.829 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -57.08 -42.38 80.58 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.536 1.134 . . . . 0.0 109.837 177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -83.78 76.89 9.96 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.77 -68.65 0.63 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.933 -1.03 . . . . 0.0 112.273 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -53.51 -54.37 38.16 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -51.11 -54.19 27.37 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 114.366 -1.288 . . . . 0.0 109.38 175.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 8.6 m -50.4 -54.26 23.18 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.675 0.79 . . . . 0.0 111.023 -177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.11 -36.98 84.59 Favored 'General case' 0 C--O 1.226 -0.152 0 C-N-CA 119.341 -0.944 . . . . 0.0 110.6 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.79 -58.92 6.49 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.779 0.718 . . . . 0.0 110.123 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.81 -32.5 54.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.065 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -50.04 -27.82 6.12 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 119.198 0.908 . . . . 0.0 112.728 177.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -62.78 -32.0 73.08 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.067 0.849 . . . . 0.0 111.488 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.23 127.36 32.62 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.131 1.372 . . . . 0.0 110.774 -179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.7 t -88.39 -175.03 4.85 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.37 -54.03 15.42 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -174.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -43.04 -57.88 2.69 Favored 'General case' 0 CA--C 1.521 -0.143 0 C-N-CA 124.472 1.109 . . . . 0.0 111.21 177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -62.58 -47.65 82.91 Favored 'General case' 0 N--CA 1.424 -1.76 0 C-N-CA 125.771 1.629 . . . . 0.0 112.281 -178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.2 mt -57.15 -48.17 79.36 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -60.52 -51.18 70.55 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.01 73.99 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 -177.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.54 -55.93 22.78 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.74 -52.28 49.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 123.212 0.32 . . . . 0.0 110.394 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.16 -54.52 38.61 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.102 0.561 . . . . 0.0 111.545 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -55.05 -55.76 27.35 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.167 0.587 . . . . 0.0 110.742 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.2 mtm -57.83 -33.38 68.57 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 124.066 0.947 . . . . 0.0 112.103 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.9 m -85.55 23.14 1.42 Allowed 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.386 1.074 . . . . 0.0 112.214 173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -146.24 37.12 1.02 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 105.083 -2.192 . . . . 0.0 105.083 178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.428 -1.56 0 C-N-CA 128.735 2.814 . . . . 0.0 106.623 -174.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.459 HMA3 ' CD2' ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.729 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -52.42 151.49 4.07 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.951 1.3 . . . . 0.0 111.125 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.0 -70.78 2.02 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.66 -50.51 72.93 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 125.923 1.689 . . . . 0.0 113.056 -175.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.53 86.75 Favored 'General case' 0 C--O 1.228 -0.071 0 CA-C-O 120.622 0.249 . . . . 0.0 111.07 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -66.06 -50.4 64.28 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.266 -178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -42.83 -44.43 4.46 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -175.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -47.66 -34.52 8.2 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 125.201 1.401 . . . . 0.0 112.326 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -69.54 -43.92 71.99 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.892 0.853 . . . . 0.0 110.543 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -63.29 -31.7 72.92 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 126.046 1.738 . . . . 0.0 110.953 -173.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -46.13 -37.64 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.638 0.775 . . . . 0.0 109.519 174.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.61 -38.28 7.26 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 124.428 1.013 . . . . 0.0 113.122 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.4 m -111.04 -31.75 7.02 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 118.313 1.056 . . . . 0.0 111.638 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -99.51 -4.07 32.08 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 -173.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.87 165.37 31.2 Favored Glycine 0 CA--C 1.523 0.554 0 O-C-N 121.182 -0.949 . . . . 0.0 112.822 179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -44.35 -52.92 7.25 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.654 1.182 . . . . 0.0 111.853 -177.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -108.49 43.88 1.19 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.226 1.011 . . . . 0.0 112.987 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 45.6 27.96 2.27 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 126.485 1.993 . . . . 0.0 114.731 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.5 p -83.77 -62.61 1.53 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 125.879 1.672 . . . . 0.0 113.8 -171.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -58.19 142.01 48.77 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -173.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.22 143.76 56.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.63 -128.55 0.08 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.517 0.727 . . . . 0.0 110.131 -178.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 84.5 mmm -69.91 76.56 0.47 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.198 0.599 . . . . 0.0 110.639 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.51 -161.22 23.92 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 124.035 0.826 . . . . 0.0 112.02 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -62.07 70.88 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.739 2.015 . . . . 0.0 113.809 -177.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -90.49 134.15 34.56 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.753 1.221 . . . . 0.0 109.031 178.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 134.31 96.01 Favored Pre-proline 0 C--N 1.343 0.283 0 N-CA-C 104.579 -2.378 . . . . 0.0 104.579 172.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -58.21 140.04 92.76 Favored 'Trans proline' 0 N--CA 1.449 -1.147 0 N-CA-C 108.415 -1.417 . . . . 0.0 108.415 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 t -76.97 -37.27 26.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-O 118.954 -0.545 . . . . 0.0 109.711 -173.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -35.82 95.96 0.01 OUTLIER 'General case' 0 C--N 1.343 0.323 0 C-N-CA 127.011 2.124 . . . . 0.0 110.025 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 37.86 49.56 1.98 Allowed Glycine 0 CA--C 1.528 0.897 0 C-N-CA 125.502 1.525 . . . . 0.0 115.215 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.303 5.4 pt20 -58.57 -26.6 63.76 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.274 1.537 . . . . 0.0 110.534 175.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.09 134.1 1.83 Allowed Glycine 0 C--O 1.218 -0.874 0 C-N-CA 128.575 2.988 . . . . 0.0 108.232 170.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.09 73.11 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 121.955 2.877 . . . . 0.0 111.162 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.66 -53.43 47.54 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -46.88 -62.45 1.39 Allowed 'General case' 0 C--N 1.339 0.133 0 C-N-CA 125.069 1.348 . . . . 0.0 108.467 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD23 HMA3 ' A' ' 80' ' ' HEC . 44.7 mt -48.19 -67.3 0.28 Allowed 'General case' 0 N--CA 1.425 -1.698 0 C-N-CA 126.743 2.017 . . . . 0.0 109.22 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -44.58 -50.87 9.47 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.906 0.776 . . . . 0.0 111.888 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm -57.83 -48.21 80.41 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 119.231 -0.414 . . . . 0.0 111.202 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.51 -49.52 66.25 Favored 'General case' 0 N--CA 1.441 -0.893 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.259 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.513 ' HE3' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -58.57 -42.04 87.08 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.777 1.626 . . . . 0.0 110.274 177.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -63.98 -43.72 94.89 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 118.756 0.707 . . . . 0.0 109.583 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.25 -53.43 23.79 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 125.319 1.438 . . . . 0.0 110.327 176.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -62.59 -55.0 31.27 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.571 0.748 . . . . 0.0 110.107 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.69 -45.1 70.25 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.552 0.341 . . . . 0.0 111.851 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.43 -40.5 85.49 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 177.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.88 12.6 25.66 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.63 1.11 . . . . 0.0 111.537 -178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -40.94 45.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -98.49 151.11 20.96 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 176.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 148.66 -155.7 26.51 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 109.089 -1.605 . . . . 0.0 109.089 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.05 121.55 3.66 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.144 0.878 . . . . 0.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 33.44 -91.44 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.166 2.587 . . . . 0.0 114.698 177.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -50.81 -33.77 24.92 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.735 1.214 . . . . 0.0 112.458 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -87.63 6.91 32.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.541 1.137 . . . . 0.0 112.065 -177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.78 11.27 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 119.767 1.167 . . . . 0.0 112.075 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.3 ttt -57.48 -45.49 84.77 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.4 tpt -51.31 -54.75 23.1 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.31 1.444 . . . . 0.0 109.469 176.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.9 m -54.73 -54.36 42.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.192 0.997 . . . . 0.0 109.652 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -44.63 76.89 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 119.23 -0.414 . . . . 0.0 110.786 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.45 -59.5 5.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.839 0.29 . . . . 0.0 110.415 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -65.98 -31.59 54.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 120.485 -0.486 . . . . 0.0 112.137 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -58.31 -23.63 57.1 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.754 0.706 . . . . 0.0 111.614 178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.96 -11.92 60.05 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 118.635 0.652 . . . . 0.0 112.149 177.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.59 177.49 6.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.936 1.294 . . . . 0.0 110.003 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 t -124.88 158.17 34.16 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 124.132 0.973 . . . . 0.0 109.694 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -40.01 -45.14 1.86 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.067 1.747 . . . . 0.0 113.983 -176.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -57.88 -50.49 73.14 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.505 0.669 . . . . 0.0 109.506 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.6 -47.62 81.65 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.203 1.001 . . . . 0.0 108.517 178.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.43 -52.85 63.1 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.99 0.916 . . . . 0.0 111.563 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -56.52 -46.37 80.63 Favored 'General case' 0 N--CA 1.457 -0.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.11 -33.52 75.98 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 112.565 0.579 . . . . 0.0 112.565 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.85 -50.15 58.19 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.91 -52.58 57.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.36 -52.48 61.47 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 122.338 0.255 . . . . 0.0 110.981 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -53.1 -58.19 7.87 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.42 0.688 . . . . 0.0 110.24 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.7 mtm -63.7 -22.59 66.98 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.7 t -84.57 13.4 5.63 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.579 0.751 . . . . 0.0 111.772 172.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.3 ttmm -147.21 48.91 1.12 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 104.934 -2.247 . . . . 0.0 104.934 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.1 tp . . . . . 0 C--O 1.253 1.268 0 CA-C-O 116.499 -1.715 . . . . 0.0 106.373 -171.417 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.513 HMA1 ' HE3' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 p30 174.99 -160.7 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.853 1.661 . . . . 0.0 106.595 -172.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 79.05 -68.2 3.13 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 109.855 -1.298 . . . . 0.0 109.855 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -55.64 30.09 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 124.048 0.939 . . . . 0.0 111.342 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.94 -46.41 71.53 Favored 'General case' 0 C--O 1.226 -0.151 0 C-N-CA 122.895 0.478 . . . . 0.0 110.583 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.8 mp -59.73 -51.09 71.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.333 0.653 . . . . 0.0 110.268 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -47.33 -44.67 23.89 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.284 0.475 . . . . 0.0 112.284 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -47.23 -42.97 21.35 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.867 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 m -66.46 -12.7 58.65 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.5 m -95.82 -19.64 19.45 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 126.26 1.824 . . . . 0.0 111.308 -176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.95 152.52 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.88 -51.25 1.33 Allowed Glycine 0 CA--C 1.521 0.419 0 N-CA-C 107.803 -2.119 . . . . 0.0 107.803 -175.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.5 m -85.49 -50.06 7.57 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 175.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -84.13 -28.99 27.08 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.677 0.791 . . . . 0.0 112.29 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.37 -160.4 34.59 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.92 -52.38 42.77 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.223 1.009 . . . . 0.0 113.408 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -146.3 66.76 1.19 Allowed 'General case' 0 C--O 1.226 -0.148 0 CA-C-O 120.911 0.386 . . . . 0.0 111.382 -173.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 49.43 31.89 14.4 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.38 -48.44 14.02 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 127.398 2.279 . . . . 0.0 113.399 -170.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -79.45 141.13 37.06 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-O 121.337 0.589 . . . . 0.0 110.865 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.19 78.12 0.97 Allowed 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 173.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -27.29 132.71 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 128.397 2.679 . . . . 0.0 114.095 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.19 -75.39 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.681 1.592 . . . . 0.0 109.581 -170.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 176.16 118.28 0.53 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 107.523 -2.231 . . . . 0.0 107.523 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 m 66.5 76.64 0.3 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 122.206 1.003 . . . . 0.0 110.449 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -148.53 140.99 24.29 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 127.516 2.326 . . . . 0.0 105.105 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -64.76 114.99 16.73 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-O 117.764 -1.112 . . . . 0.0 108.517 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.2 122.33 10.45 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.234 1.956 . . . . 0.0 111.716 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -45.63 -40.38 3.06 Favored 'Isoleucine or valine' 0 C--O 1.231 0.131 0 C-N-CA 124.97 1.308 . . . . 0.0 114.307 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -28.16 88.92 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.578 1.951 . . . . 0.0 112.857 -173.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.18 60.03 3.23 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 125.444 1.497 . . . . 0.0 116.006 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -48.8 -55.64 11.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 123.257 1.503 . . . . 0.0 107.781 173.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.43 146.7 4.81 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 130.451 3.881 . . . . 0.0 106.453 172.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.64 -36.81 72.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 118.377 1.088 . . . . 0.0 112.112 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.71 -56.89 15.86 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 176.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -50.85 -56.62 11.33 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.167 1.387 . . . . 0.0 110.342 179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD23 HMA3 ' A' ' 80' ' ' HEC . 39.1 mt -57.76 -49.85 75.2 Favored 'General case' 0 N--CA 1.429 -1.518 0 C-N-CA 126.458 1.903 . . . . 0.0 110.491 -178.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.8 t80 -59.11 -47.95 83.39 Favored 'General case' 0 N--CA 1.457 -0.092 0 CA-C-N 119.036 0.835 . . . . 0.0 110.314 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -60.29 -55.61 31.63 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 122.762 0.425 . . . . 0.0 111.39 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.57 -46.28 89.05 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 123.625 0.77 . . . . 0.0 111.2 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 ppp? -64.74 -39.62 93.93 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 118.109 0.413 . . . . 0.0 110.296 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -63.18 -41.32 99.19 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.18 -52.15 37.59 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 124.984 1.278 . . . . 0.0 110.153 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -62.31 -55.64 26.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.861 0.864 . . . . 0.0 109.689 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -42.04 60.31 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.905 -0.497 . . . . 0.0 112.264 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -88.41 19.36 3.87 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.945 0.898 . . . . 0.0 111.866 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 46.67 33.72 6.46 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.591 1.091 . . . . 0.0 113.395 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.4 m -102.4 -48.27 4.22 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.989 1.316 . . . . 0.0 109.099 -177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -93.27 136.75 33.25 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 104.472 -2.418 . . . . 0.0 104.472 172.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.37 -160.8 33.7 Favored Glycine 0 CA--C 1.523 0.533 0 CA-C-N 119.502 1.046 . . . . 0.0 111.221 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.39 179.07 31.12 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 107.557 -2.217 . . . . 0.0 107.557 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.35 -77.01 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.159 1.383 . . . . 0.0 112.485 -179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -54.2 -35.64 62.6 Favored 'General case' 0 C--O 1.228 -0.051 0 C-N-CA 123.555 0.742 . . . . 0.0 112.037 -179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -68.18 -20.24 64.84 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.186 -0.916 . . . . 0.0 111.868 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -48.02 -45.74 32.32 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.639 1.109 . . . . 0.0 113.393 -177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.6 ttm -53.93 -60.14 3.72 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.364 0.666 . . . . 0.0 109.611 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.1 ttp -52.61 -51.06 61.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.215 1.406 . . . . 0.0 109.862 178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 m -49.76 -58.41 5.39 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.717 1.207 . . . . 0.0 109.481 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -37.28 84.44 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.623 -0.673 . . . . 0.0 111.356 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.29 70.41 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 118.333 0.515 . . . . 0.0 110.056 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.87 -27.44 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 119.295 -0.383 . . . . 0.0 111.481 -178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -52.64 -25.86 11.98 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.1 0.864 . . . . 0.0 111.942 176.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -67.35 -16.14 64.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.44 174.94 6.7 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.739 1.615 . . . . 0.0 112.26 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -144.57 174.12 11.23 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.997 2.119 . . . . 0.0 107.024 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -45.61 -48.38 14.66 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 116.617 2.081 . . . . 0.0 116.617 -168.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -54.35 -52.95 59.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.592 1.087 . . . . 0.0 109.021 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -59.74 -46.28 89.62 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.338 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 81.0 mt -56.77 -55.6 32.17 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 118.407 0.549 . . . . 0.0 109.838 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -54.72 -48.75 72.12 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 123.582 0.753 . . . . 0.0 109.565 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.32 -31.58 72.78 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 118.398 -0.81 . . . . 0.0 112.481 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.4 -49.28 74.38 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.85 -57.0 14.39 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.264 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -50.42 -46.57 56.47 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.721 0.408 . . . . 0.0 111.744 178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -60.66 -56.35 22.29 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.0 mtm -57.72 -26.32 61.61 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.54 0.736 . . . . 0.0 112.322 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -83.02 2.17 36.26 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.91 1.284 . . . . 0.0 112.901 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -137.09 45.52 2.23 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.429 -1.51 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 -171.097 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.467 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 CA-C-O 118.291 -0.861 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -60.04 158.32 11.28 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.706 0.628 . . . . 0.0 109.513 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.29 -63.11 3.66 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -177.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.09 -49.05 79.36 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.824 0.85 . . . . 0.0 109.974 178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.41 -50.09 42.05 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.336 0.654 . . . . 0.0 110.968 178.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.437 HD21 ' HB3' ' A' ' 68' ' ' GLU . 8.5 mp -60.95 -53.48 56.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 176.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -47.02 -41.33 16.36 Favored 'General case' 0 CA--C 1.518 -0.268 0 C-N-CA 124.249 1.02 . . . . 0.0 113.592 -175.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -39.73 -39.58 0.8 Allowed 'General case' 0 CA--C 1.536 0.437 0 O-C-N 123.867 0.729 . . . . 0.0 112.064 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.85 -50.03 63.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 122.363 1.078 . . . . 0.0 110.836 178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.28 -27.78 68.87 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 127.355 2.262 . . . . 0.0 111.025 -174.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.7 mt -48.38 -37.33 7.6 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -50.87 -30.76 22.85 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 119.093 -0.837 . . . . 0.0 113.02 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -45.82 3.93 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 118.563 1.182 . . . . 0.0 110.827 -178.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -87.97 -18.19 29.62 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -173.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.46 162.23 37.57 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-N 119.132 0.878 . . . . 0.0 111.941 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.13 -57.69 4.28 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 124.458 1.103 . . . . 0.0 112.152 -177.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -100.64 41.52 1.17 Allowed 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 122.957 0.503 . . . . 0.0 110.691 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.01 34.37 0.81 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.625 2.06 . . . . 0.0 115.422 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.5 -22.0 21.56 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.264 1.426 . . . . 0.0 114.406 -172.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -71.79 108.04 4.9 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 118.692 0.678 . . . . 0.0 112.158 -175.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.39 69.0 3.6 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 105.948 -1.871 . . . . 0.0 105.948 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' HB3' HBC1 ' A' ' 80' ' ' HEC . . . -77.43 -119.48 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 126.215 1.806 . . . . 0.0 113.484 -172.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.522 ' H ' HBC1 ' A' ' 80' ' ' HEC . 64.0 mtt -46.66 127.87 9.98 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.101 0.864 . . . . 0.0 112.077 -175.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 54.99 24.12 33.73 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.929 1.252 . . . . 0.0 113.944 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 58.78 51.65 7.39 Favored 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.681 1.24 . . . . 0.0 110.825 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.61 135.69 22.6 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.911 1.284 . . . . 0.0 112.158 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -56.2 112.9 4.93 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 170.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.71 106.86 0.54 Allowed 'Trans proline' 0 N--CA 1.449 -1.121 0 C-N-CA 122.068 1.845 . . . . 0.0 112.543 -170.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.9 t -22.23 -53.51 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.52 -0.185 0 C-N-CA 129.509 3.124 . . . . 0.0 113.613 177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -17.18 85.48 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.065 2.546 . . . . 0.0 112.811 -178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.86 50.06 39.35 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-O 117.52 -1.711 . . . . 0.0 115.619 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -51.95 -51.7 55.32 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.572 2.186 . . . . 0.0 108.626 175.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.07 135.01 2.03 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 128.459 2.933 . . . . 0.0 108.374 176.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.66 -41.81 10.76 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.923 1.861 . . . . 0.0 111.438 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -57.05 -57.56 12.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 123.339 0.656 . . . . 0.0 110.37 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -54.75 -58.38 7.78 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 125.739 1.615 . . . . 0.0 108.847 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.3 mt -48.62 -64.46 0.8 Allowed 'General case' 0 N--CA 1.426 -1.674 0 C-N-CA 125.8 1.64 . . . . 0.0 109.752 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -47.31 -55.9 7.86 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 124.794 1.237 . . . . 0.0 111.185 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -51.74 -49.59 62.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.856 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.03 -45.06 67.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 119.203 0.91 . . . . 0.0 111.906 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.571 ' HE3' ' HHB' ' A' ' 80' ' ' HEC 0.305 0.0 OUTLIER -62.12 -36.31 81.37 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 120.549 1.522 . . . . 0.0 110.293 177.962 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -65.26 -44.99 86.35 Favored 'General case' 0 C--O 1.223 -0.315 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.5 -58.92 2.41 Favored Glycine 0 CA--C 1.524 0.597 0 C-N-CA 127.085 2.279 . . . . 0.0 111.436 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -67.15 -51.2 56.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 113.17 -1.515 . . . . 0.0 110.203 -178.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.6 -34.29 67.07 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.957 -0.465 . . . . 0.0 111.731 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.71 -10.58 59.81 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.412 1.085 . . . . 0.0 111.317 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.56 21.28 74.49 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 119.519 -0.601 . . . . 0.0 112.112 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.8 p -97.47 -53.31 3.49 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -75.17 133.61 41.41 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.4 -175.86 44.82 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.61 166.17 18.86 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 107.375 -2.29 . . . . 0.0 107.375 -179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -47.07 -60.43 2.47 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.468 1.134 . . . . 0.0 112.019 -177.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -55.98 -27.48 52.97 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.2 0.6 . . . . 0.0 112.119 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -93.7 3.86 54.81 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.314 1.046 . . . . 0.0 111.862 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.75 26.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.628 1.558 . . . . 0.0 112.224 -176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -53.92 -53.33 54.14 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.096 0.958 . . . . 0.0 108.492 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.8 tpt -47.2 -55.99 7.52 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 126.666 1.987 . . . . 0.0 110.034 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.0 m -52.23 -56.37 15.14 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.486 0.715 . . . . 0.0 110.205 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -39.37 89.59 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.856 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.04 -51.11 71.02 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.951 0.341 . . . . 0.0 110.247 -178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.3 p -76.85 -28.59 17.21 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 112.778 0.659 . . . . 0.0 112.778 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.81 -29.18 10.99 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.302 1.041 . . . . 0.0 111.495 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -62.11 -25.38 67.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.88 140.6 31.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.083 1.353 . . . . 0.0 112.304 -176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.6 t -87.34 177.48 7.12 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 123.623 0.769 . . . . 0.0 109.966 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -55.71 -48.6 74.87 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.434 -0.791 . . . . 0.0 112.836 -175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -55.09 -50.74 68.43 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.421 1.088 . . . . 0.0 110.123 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 6' ' ' LEU . 5.0 mm-40 -58.26 -53.56 56.94 Favored 'General case' 0 N--CA 1.426 -1.668 0 C-N-CA 125.093 1.357 . . . . 0.0 109.843 179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.9 mt -52.28 -48.45 65.29 Favored 'General case' 0 N--CA 1.439 -0.989 0 C-N-CA 125.396 1.478 . . . . 0.0 110.852 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -55.16 -55.17 34.26 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.88 75.75 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.38 -52.96 55.62 Favored 'General case' 0 N--CA 1.439 -0.975 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 -178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.63 -51.24 63.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.506 175.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -53.94 -50.15 67.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 122.801 0.441 . . . . 0.0 110.575 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -58.66 -63.92 1.11 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.63 0.729 . . . . 0.0 110.614 179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 30.5 mtm -54.25 -25.47 23.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.1 t -61.44 -11.33 10.08 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.377 -1.297 . . . . 0.0 113.362 176.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -132.92 57.42 1.8 Allowed 'General case' 0 C--N 1.341 0.22 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.264 32.7 tp . . . . . 0 N--CA 1.433 -1.32 0 C-N-CA 125.166 1.386 . . . . 0.0 107.278 -173.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.571 ' HHB' ' HE3' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 118.147 -0.93 . . . . 0.0 108.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -50.99 148.46 4.25 Favored 'General case' 0 N--CA 1.456 -0.157 0 O-C-N 124.263 0.977 . . . . 0.0 110.719 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.63 -69.41 2.61 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.51 -50.46 62.74 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.889 1.276 . . . . 0.0 111.541 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.28 46.88 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.82 0.848 . . . . 0.0 112.385 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -88.24 -50.82 6.11 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.03 -41.96 17.57 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 112.518 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 pptp? -47.68 -31.13 4.35 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.9 -47.03 17.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.794 0.838 . . . . 0.0 109.908 177.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 8.1 m -57.59 -36.15 71.34 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 125.986 1.714 . . . . 0.0 109.619 -176.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.0 mt -45.93 -35.07 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.679 1.191 . . . . 0.0 110.993 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.56 -38.83 4.25 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.329 0.966 . . . . 0.0 112.01 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 63.6 m -104.83 -46.26 4.35 Favored 'General case' 0 C--O 1.227 -0.123 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -63.21 -12.63 29.84 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 41.92 99.56 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-N 118.852 0.751 . . . . 0.0 113.095 171.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 65.22 -69.75 0.1 Allowed 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 125.825 1.65 . . . . 0.0 112.41 178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.6 -47.41 85.57 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.59 1.156 . . . . 0.0 111.962 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.43 -17.52 9.62 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 124.244 0.926 . . . . 0.0 111.835 -177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.4 m -79.25 43.06 0.51 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.721 1.26 . . . . 0.0 112.942 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 178.22 8.21 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.681 0.753 . . . . 0.0 112.809 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.68 85.55 2.34 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 102.922 -2.992 . . . . 0.0 102.922 169.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.53 -148.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.505 0.722 . . . . 0.0 110.68 -174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.2 ptm -72.94 64.1 0.68 Allowed 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 127.5 -172.85 18.74 Favored Glycine 0 CA--C 1.526 0.719 0 C-N-CA 125.593 1.568 . . . . 0.0 109.991 179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 p -72.8 63.92 0.65 Allowed 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.418 1.487 . . . . 0.0 109.743 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 130.05 38.99 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.088 0.955 . . . . 0.0 109.748 -178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -63.06 141.45 97.71 Favored Pre-proline 0 CA--C 1.532 0.28 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.41 138.79 56.62 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 121.076 1.184 . . . . 0.0 109.928 -178.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.3 t -79.7 -32.63 14.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.513 0.725 . . . . 0.0 111.732 -177.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -42.3 98.95 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.902 1.281 . . . . 0.0 111.404 -174.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.14 48.51 46.54 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 115.969 1.147 . . . . 0.0 115.969 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -53.64 -47.64 70.11 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 123.418 1.58 . . . . 0.0 107.799 171.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.71 149.27 5.0 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 129.08 3.228 . . . . 0.0 109.591 173.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -53.58 -44.21 69.17 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.933 0.866 . . . . 0.0 111.408 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.1 mp0 -59.72 -55.68 31.28 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.499 1.12 . . . . 0.0 109.339 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -52.76 -59.41 4.53 Favored 'General case' 0 N--CA 1.436 -1.145 0 C-N-CA 126.113 1.765 . . . . 0.0 109.416 179.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD23 HMA3 ' A' ' 80' ' ' HEC . 21.5 mt -54.14 -58.34 7.71 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.233 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -45.72 -57.36 4.32 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 119.147 0.885 . . . . 0.0 110.465 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -49.37 -50.32 40.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 114.018 -1.446 . . . . 0.0 110.672 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -51.14 68.18 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 117.494 -1.241 . . . . 0.0 111.846 178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.565 ' CE ' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -54.3 -43.61 71.24 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 121.472 1.942 . . . . 0.0 110.446 177.165 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -59.32 -49.19 78.77 Favored 'General case' 0 C--O 1.224 -0.276 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.39 -49.58 38.15 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.748 1.166 . . . . 0.0 111.481 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -64.2 -52.95 56.39 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.269 0.628 . . . . 0.0 109.352 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.89 -36.48 62.73 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.399 0.68 . . . . 0.0 111.753 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -86.53 15.89 5.11 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.43 1.492 . . . . 0.0 111.419 179.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.23 35.36 14.29 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.941 1.258 . . . . 0.0 112.851 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.0 m -111.84 -59.85 1.93 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.205 1.002 . . . . 0.0 109.809 -176.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -78.25 72.62 4.79 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.09 -157.98 8.21 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 156.53 -153.58 24.83 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 108.419 -1.872 . . . . 0.0 108.419 -174.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -62.78 -79.25 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.906 0.883 . . . . 0.0 112.143 -177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -52.65 -37.03 57.87 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 122.235 1.016 . . . . 0.0 111.195 -177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -58.06 -25.05 60.74 Favored 'General case' 0 N--CA 1.444 -0.771 0 C-N-CA 126.213 1.805 . . . . 0.0 112.455 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -46.61 -53.02 12.36 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.635 1.107 . . . . 0.0 113.75 -176.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.42 -50.44 73.0 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -50.83 -52.42 41.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.293 1.437 . . . . 0.0 109.649 177.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.6 m -51.92 -56.38 14.46 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.714 1.606 . . . . 0.0 108.586 -179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -45.42 89.03 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 119.118 -0.468 . . . . 0.0 110.774 178.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.58 61.11 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 117.973 0.352 . . . . 0.0 110.447 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.4 p -74.5 -28.5 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -49.89 -37.57 31.94 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.385 0.993 . . . . 0.0 111.195 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -64.59 -19.57 65.74 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -90.78 133.61 35.06 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.745 1.218 . . . . 0.0 110.666 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.3 t -84.74 167.27 16.28 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.162 0.585 . . . . 0.0 109.886 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -45.8 -42.84 12.68 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.073 0.949 . . . . 0.0 112.915 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -51.31 -55.96 15.6 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 122.809 1.29 . . . . 0.0 111.118 175.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.38 -44.77 93.79 Favored 'General case' 0 N--CA 1.424 -1.735 0 C-N-CA 126.696 1.998 . . . . 0.0 109.226 -177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.7 mt -54.16 -52.18 61.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.167 0.587 . . . . 0.0 110.24 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -58.94 -47.8 83.8 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.69 -36.76 84.9 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.63 -52.14 64.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.06 -51.15 62.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.309 0.381 . . . . 0.0 110.669 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -53.51 -53.21 54.78 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 122.238 -0.288 . . . . 0.0 110.607 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -53.73 -55.97 21.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.542 0.737 . . . . 0.0 111.046 -179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtm -64.18 -20.7 66.19 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -89.44 8.95 28.25 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.966 0.907 . . . . 0.0 111.464 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.39 37.64 4.28 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 105.661 -1.978 . . . . 0.0 105.661 177.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 79' ' ' LEU . 6.5 mt . . . . . 0 N--CA 1.429 -1.521 0 C-N-CA 129.342 3.057 . . . . 0.0 103.533 -174.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.565 HMA1 ' CE ' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 118.5 -0.762 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -57.16 152.58 13.32 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.897 0.879 . . . . 0.0 109.972 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 78.2 -67.87 2.97 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 108.794 -1.722 . . . . 0.0 108.794 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.9 -49.71 76.77 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 125.085 1.354 . . . . 0.0 112.667 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.76 -45.87 90.9 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 121.993 -0.442 . . . . 0.0 110.686 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.6 mp -63.61 -43.31 97.26 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 124.644 1.178 . . . . 0.0 110.09 -179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -51.2 -21.91 2.32 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.54 1.136 . . . . 0.0 113.474 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -53.77 -40.12 65.96 Favored 'General case' 0 N--CA 1.437 -1.101 0 O-C-N 120.519 -1.363 . . . . 0.0 109.982 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -87.82 36.51 0.76 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.333 0.653 . . . . 0.0 110.863 177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -143.42 -33.31 0.44 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 126.419 1.888 . . . . 0.0 111.215 -173.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 35.8 mt -45.73 156.75 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 125.655 1.582 . . . . 0.0 109.88 171.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.12 -57.38 4.99 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 109.549 -1.421 . . . . 0.0 109.549 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.5 m -75.23 -44.93 43.45 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 119.225 1.513 . . . . 0.0 107.141 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.632 ' CE1' HG21 ' A' ' 29' ' ' VAL . 98.5 m-70 -93.19 6.15 49.04 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.566 0.746 . . . . 0.0 111.266 175.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.74 -111.05 3.25 Favored Glycine 0 C--N 1.336 0.535 0 N-CA-C 107.659 -2.177 . . . . 0.0 107.659 175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -136.25 25.19 3.24 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 172.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -159.26 -103.03 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 -177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 177.36 19.74 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.786 0.708 . . . . 0.0 112.525 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -80.2 -23.56 40.89 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.461 1.131 . . . . 0.0 110.487 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.68 143.75 35.09 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.627 0.771 . . . . 0.0 110.893 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.66 23.16 2.75 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 122.99 0.516 . . . . 0.0 110.611 174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 25.13 -135.78 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 129.585 3.154 . . . . 0.0 114.549 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.9 mmt -75.41 66.66 1.86 Allowed 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 -176.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.36 86.41 1.82 Allowed Glycine 0 CA--C 1.527 0.839 0 N-CA-C 115.543 0.977 . . . . 0.0 115.543 171.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.6 m 51.74 43.24 30.11 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.68 141.9 56.53 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -59.28 122.5 64.17 Favored Pre-proline 0 N--CA 1.441 -0.888 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 172.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -52.14 136.23 53.51 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 121.648 1.565 . . . . 0.0 111.193 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.632 HG21 ' CE1' ' A' ' 14' ' ' HIS . 40.2 t -90.07 -34.9 6.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 125.618 1.567 . . . . 0.0 111.484 -173.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -38.47 101.38 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.829 1.651 . . . . 0.0 109.719 178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 50.52 47.08 45.54 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 116.618 1.407 . . . . 0.0 116.618 178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -56.12 -54.17 48.31 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 123.481 1.61 . . . . 0.0 107.941 173.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 148.38 135.53 2.58 Favored Glycine 0 C--O 1.225 -0.439 0 C-N-CA 128.355 2.883 . . . . 0.0 109.865 174.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -41.12 -43.56 2.28 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 126.019 1.727 . . . . 0.0 113.784 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -63.69 -52.78 59.09 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 123.748 0.819 . . . . 0.0 109.47 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.25 -60.16 3.24 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 126.421 1.888 . . . . 0.0 108.0 178.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD23 HMA3 ' A' ' 80' ' ' HEC . 38.2 mt -52.88 -64.4 0.83 Allowed 'General case' 0 N--CA 1.424 -1.763 0 C-N-CA 127.331 2.252 . . . . 0.0 109.589 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -42.51 -52.97 4.53 Favored 'General case' 0 CA--C 1.523 -0.094 0 C-N-CA 124.694 1.198 . . . . 0.0 111.75 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -57.15 -47.79 80.29 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.137 0.273 . . . . 0.0 111.111 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -65.52 -52.5 52.13 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-O 118.595 -0.717 . . . . 0.0 112.517 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -39.28 80.12 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.013 1.279 . . . . 0.0 109.806 177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -62.49 -43.22 99.35 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 175.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.85 -50.5 63.31 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.302 0.953 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -58.9 -56.14 26.14 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.678 0.791 . . . . 0.0 109.371 177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.27 75.11 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.73 0.412 . . . . 0.0 111.62 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.37 -38.02 89.51 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.652 0.781 . . . . 0.0 109.988 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.77 23.31 15.91 Favored Glycine 0 CA--C 1.526 0.75 0 C-N-CA 124.243 0.925 . . . . 0.0 111.23 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -95.36 -67.39 0.85 Allowed 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -74.12 73.12 1.72 Allowed 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -160.21 -174.86 30.54 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.15 176.92 42.03 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 109.438 -1.465 . . . . 0.0 109.438 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -47.09 -53.17 13.41 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.161 0.984 . . . . 0.0 112.058 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -60.85 -24.35 65.83 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -89.11 -29.86 19.06 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.261 1.024 . . . . 0.0 110.771 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -20.78 -57.04 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 127.285 2.234 . . . . 0.0 116.173 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 39.1 mmt -56.02 -54.87 39.69 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.12 0.486 . . . . 0.0 110.467 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.3 ttp -58.9 -47.92 83.29 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.4 m -48.99 -52.15 26.63 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.19 0.596 . . . . 0.0 110.082 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -41.26 89.05 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.95 -0.469 . . . . 0.0 110.611 178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.8 -47.75 76.58 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 118.609 0.64 . . . . 0.0 110.31 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.77 -24.39 12.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-O 118.664 -0.684 . . . . 0.0 111.827 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -50.37 -36.54 32.87 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.839 1.199 . . . . 0.0 110.086 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -60.95 -28.9 69.3 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.276 1.03 . . . . 0.0 112.583 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.68 119.51 24.39 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.768 1.227 . . . . 0.0 111.408 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -83.04 -170.14 2.88 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 173.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -53.08 -53.23 53.42 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -54.9 -49.17 71.89 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 121.927 0.87 . . . . 0.0 110.336 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -59.25 -49.5 77.58 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.254 1.821 . . . . 0.0 110.826 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -55.63 -50.32 70.49 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.212 0.605 . . . . 0.0 109.592 177.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -60.65 -41.52 95.12 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.189 0.196 . . . . 0.0 110.476 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.67 89.49 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.72 -45.0 80.1 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.34 -51.39 66.91 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.31 -47.58 81.17 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 119.27 -0.395 . . . . 0.0 110.526 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -51.27 -63.49 1.11 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 mtt -55.94 -33.67 64.94 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.6 t -65.85 -18.66 65.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 117.461 -1.257 . . . . 0.0 113.033 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -127.45 53.52 1.74 Allowed 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.257 43.1 tp . . . . . 0 N--CA 1.432 -1.351 0 CA-C-O 116.111 -1.899 . . . . 0.0 106.479 -170.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.563 HMB1 ' CBB' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 116.75 -1.595 . . . . 0.0 107.814 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -144.07 140.43 29.49 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 120.141 1.337 . . . . 0.0 110.895 -179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -42.1 -36.82 2.08 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 126.967 2.222 . . . . 0.0 114.067 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.51 -33.54 60.08 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.749 1.275 . . . . 0.0 112.511 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.17 -52.87 36.13 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.75 -50.61 69.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.13 1.372 . . . . 0.0 111.109 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -45.8 -33.86 3.37 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.851 1.661 . . . . 0.0 114.517 -172.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -50.4 -37.37 37.25 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 122.663 0.385 . . . . 0.0 110.854 178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -62.71 -22.97 66.91 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.3 1.04 . . . . 0.0 113.438 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.1 m -90.2 -25.85 20.41 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 125.297 1.439 . . . . 0.0 111.211 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.7 mt -56.34 142.72 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.33 -45.55 1.29 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -173.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -94.08 -31.07 14.35 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 117.95 0.875 . . . . 0.0 109.498 176.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' CE1' HG21 ' A' ' 29' ' ' VAL . 54.0 m-70 -110.15 -41.31 4.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 -173.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.75 174.56 19.77 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 -174.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.06 96.69 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.755 0.777 . . . . 0.0 109.702 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -81.45 -71.04 0.49 Allowed 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 140.68 61.85 0.03 OUTLIER Glycine 0 C--N 1.336 0.573 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 m -129.32 -22.57 3.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 115.225 1.565 . . . . 0.0 115.225 -169.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -71.36 158.56 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.58 1.082 . . . . 0.0 111.447 -175.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.68 77.61 0.6 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.826 0.85 . . . . 0.0 110.508 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.55 136.2 17.15 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.355 0.662 . . . . 0.0 110.271 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.497 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 38.7 mtp 46.6 33.31 1.97 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.934 1.294 . . . . 0.0 112.176 -174.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.23 -5.92 52.89 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 118.378 -1.234 . . . . 0.0 114.3 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.3 m -170.06 104.46 0.31 Allowed 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 120.014 1.907 . . . . 0.0 109.341 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.44 144.15 15.37 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -61.42 139.61 94.85 Favored Pre-proline 0 C--O 1.234 0.247 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 173.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -64.31 141.7 76.18 Favored 'Trans proline' 0 N--CA 1.444 -1.435 0 N-CA-C 107.168 -1.897 . . . . 0.0 107.168 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 14' ' ' HIS . 9.6 t -86.2 -35.16 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 124.017 0.927 . . . . 0.0 108.613 -176.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -33.34 100.3 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 127.671 2.388 . . . . 0.0 109.375 175.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 43.28 51.52 6.29 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 126.24 1.876 . . . . 0.0 116.639 178.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -55.0 -55.54 29.8 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-O 123.416 1.579 . . . . 0.0 108.145 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 165.09 144.27 4.0 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 128.376 2.893 . . . . 0.0 107.692 176.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.27 -40.81 95.49 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 120.244 2.022 . . . . 0.0 112.982 -175.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -63.45 -52.17 62.57 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -48.86 -60.26 2.89 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.815 1.646 . . . . 0.0 108.162 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.5 mt -50.71 -70.31 0.09 Allowed 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 125.651 1.58 . . . . 0.0 109.211 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -39.87 -55.86 1.9 Allowed 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 124.515 1.126 . . . . 0.0 112.143 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.6 -44.06 85.17 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -72.11 -43.62 64.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-O 117.878 -1.058 . . . . 0.0 112.422 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -40.83 96.49 Favored 'General case' 0 C--N 1.346 0.445 0 CA-C-N 121.531 1.969 . . . . 0.0 109.003 174.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.6 tttp -59.89 -43.67 94.65 Favored 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 174.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' C ' ' HB3' ' A' ' 49' ' ' TYR . . . -45.2 -61.32 3.62 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 128.268 2.842 . . . . 0.0 111.509 175.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -62.62 -52.5 63.11 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 125.385 1.474 . . . . 0.0 109.373 -178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.7 -42.95 62.6 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.396 0.678 . . . . 0.0 111.16 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -73.53 -10.7 59.98 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.819 0.848 . . . . 0.0 111.967 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 65.14 28.48 73.6 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 123.777 0.703 . . . . 0.0 111.775 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.2 p -109.85 -49.99 3.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.099 0.96 . . . . 0.0 109.154 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.405 ' HB3' ' C ' ' A' ' 43' ' ' GLY . 42.1 t80 -74.37 66.33 1.32 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.337 0.655 . . . . 0.0 109.784 179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.35 -165.69 32.45 Favored Glycine 0 CA--C 1.521 0.456 0 O-C-N 120.883 -1.136 . . . . 0.0 112.401 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.89 -176.65 47.08 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 106.876 -2.49 . . . . 0.0 106.876 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 29.44 -110.46 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.467 1.907 . . . . 0.0 113.357 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -49.16 -34.94 15.54 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.981 1.312 . . . . 0.0 113.813 -176.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -63.89 -26.17 68.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.79 -177.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -39.63 -48.61 2.13 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.1 tpt -56.32 -54.78 41.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.558 0.694 . . . . 0.0 109.853 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -57.39 -48.45 79.05 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.684 178.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -45.81 -55.62 6.37 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.821 0.848 . . . . 0.0 109.403 177.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -39.4 92.33 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 118.88 -1.128 . . . . 0.0 111.186 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.76 77.37 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.649 0.659 . . . . 0.0 110.862 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -84.06 -22.84 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 CA-C-O 118.767 -0.635 . . . . 0.0 112.205 -178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -46.5 -35.31 5.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.173 1.389 . . . . 0.0 111.128 177.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -52.49 -34.69 50.56 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.869 0.468 . . . . 0.0 111.551 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.0 128.96 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 125.191 1.396 . . . . 0.0 111.272 -178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.4 p -79.18 -79.2 0.14 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.262 1.025 . . . . 0.0 112.218 -178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.57 -61.91 0.17 Allowed 'General case' 0 C--N 1.333 -0.119 0 C-N-CA 125.286 1.435 . . . . 0.0 109.313 -177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -50.01 -47.68 52.93 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-O 122.54 1.162 . . . . 0.0 108.383 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -56.17 -55.91 27.4 Favored 'General case' 0 N--CA 1.422 -1.843 0 C-N-CA 125.667 1.587 . . . . 0.0 110.958 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.6 mt -53.79 -49.33 68.54 Favored 'General case' 0 N--CA 1.443 -0.812 0 C-N-CA 124.23 1.012 . . . . 0.0 110.635 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -58.56 -44.71 89.78 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.0 -36.0 79.26 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 178.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.3 tp -60.01 -48.22 82.62 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.26 -61.32 2.56 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.209 174.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -42.92 -50.11 5.83 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.126 0.97 . . . . 0.0 112.776 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -47.75 -56.82 6.52 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.557 0.343 . . . . 0.0 110.752 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 34.8 mtm -74.13 -21.95 59.66 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.8 m -64.17 -30.74 71.78 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 119.116 0.871 . . . . 0.0 112.919 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -112.02 53.41 0.73 Allowed 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 106.838 -1.542 . . . . 0.0 106.838 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 1.9 tp . . . . . 0 N--CA 1.423 -1.819 0 N-CA-C 105.539 -2.023 . . . . 0.0 105.539 -170.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.497 ' HHD' ' HG3' ' A' ' 23' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 CA-C-O 117.818 -1.087 . . . . 0.0 108.448 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -91.71 19.22 6.62 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 115.543 1.682 . . . . 0.0 115.543 -173.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -56.98 2.74 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.51 -42.38 32.92 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.737 1.215 . . . . 0.0 110.766 179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.25 -48.0 46.1 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.706 0.803 . . . . 0.0 111.934 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -72.04 -48.02 47.51 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 125.215 1.406 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -45.36 -29.25 1.01 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.841 1.656 . . . . 0.0 114.66 -175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -44.33 -38.18 3.76 Favored 'General case' 0 N--CA 1.44 -0.94 0 C-N-CA 125.033 1.333 . . . . 0.0 112.24 176.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 p -65.61 -51.91 56.04 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 123.375 1.559 . . . . 0.0 110.807 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.21 -34.24 63.74 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 131.225 3.81 . . . . 0.0 111.306 -174.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -43.66 -40.45 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.234 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.683 175.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -42.8 -38.11 3.08 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.695 1.141 . . . . 0.0 113.578 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.4 m -114.35 -36.68 4.57 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-N 118.339 1.069 . . . . 0.0 111.975 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -91.16 -10.74 40.69 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 -174.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.69 177.29 51.11 Favored Glycine 0 CA--C 1.526 0.774 0 O-C-N 121.423 -0.798 . . . . 0.0 112.789 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -46.87 -55.88 7.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.916 1.287 . . . . 0.0 112.974 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -82.79 -80.97 0.16 Allowed 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.02 36.24 0.03 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 126.807 2.146 . . . . 0.0 109.3 176.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.19 -28.15 12.09 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.388 1.875 . . . . 0.0 115.9 -167.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 ptmm? -74.76 144.73 43.47 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 120.353 1.433 . . . . 0.0 111.108 -176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.16 108.6 4.2 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 177.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.91 -178.35 0.97 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.994 0.517 . . . . 0.0 110.625 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.3 mmt -37.92 129.25 1.2 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.945 1.698 . . . . 0.0 113.458 -177.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.11 38.0 72.95 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.802 -0.443 . . . . 0.0 112.119 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.4 m 52.85 50.87 17.08 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.15 0.98 . . . . 0.0 111.058 177.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.65 152.74 41.5 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -63.22 135.8 96.4 Favored Pre-proline 0 N--CA 1.434 -1.257 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 172.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -70.87 149.19 59.43 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 121.293 1.329 . . . . 0.0 108.73 177.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.29 -35.72 8.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 123.122 0.569 . . . . 0.0 111.041 -177.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -47.29 105.4 0.07 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.49 1.116 . . . . 0.0 110.496 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 77.47 25.6 62.95 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 117.07 -1.961 . . . . 0.0 116.652 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -59.67 -50.68 72.92 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 121.981 2.891 . . . . 0.0 107.796 172.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.43 153.39 5.86 Favored Glycine 0 C--O 1.222 -0.597 0 C-N-CA 128.625 3.012 . . . . 0.0 109.977 173.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.4 80.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.576 0.751 . . . . 0.0 112.615 -178.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -64.26 -53.15 53.55 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 123.717 0.807 . . . . 0.0 109.1 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -49.63 -60.73 2.6 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.999 1.72 . . . . 0.0 108.135 178.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD23 HMA3 ' A' ' 80' ' ' HEC . 41.1 mt -54.52 -61.43 2.31 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 114.276 -1.329 . . . . 0.0 109.552 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -43.8 -52.14 6.87 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 120.025 1.284 . . . . 0.0 111.725 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -56.72 -50.85 70.96 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.491 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -60.94 -49.13 78.7 Favored 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.188 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -46.16 74.51 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 121.405 1.911 . . . . 0.0 109.669 176.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -60.68 -47.92 84.09 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.076 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.49 -47.96 56.03 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.572 1.082 . . . . 0.0 111.579 179.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -62.51 -52.26 64.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.06 -45.18 64.63 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 118.903 0.774 . . . . 0.0 112.09 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -70.36 -12.46 61.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 125.034 1.334 . . . . 0.0 111.76 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.76 21.67 76.59 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 p -93.09 -61.91 1.48 Allowed 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -79.05 65.82 4.33 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -131.19 -151.3 6.96 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.886 1.232 . . . . 0.0 111.371 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 143.92 107.39 0.58 Allowed Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.316 0.96 . . . . 0.0 111.056 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 42.84 -101.18 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.495 1.918 . . . . 0.0 112.823 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 34.9 ptt-85 -47.94 -37.9 15.43 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.691 1.197 . . . . 0.0 112.113 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -55.03 -22.35 15.35 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 124.86 1.264 . . . . 0.0 112.294 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.73 -39.84 38.61 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.633 0.651 . . . . 0.0 111.473 175.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 89.1 mmm -63.18 -46.39 87.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.58 0.705 . . . . 0.0 109.609 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 ttm -59.07 -51.15 71.28 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.215 1.006 . . . . 0.0 108.753 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.6 m -46.78 -55.46 7.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 125.366 1.466 . . . . 0.0 109.068 175.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.92 -46.89 81.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 119.132 -0.461 . . . . 0.0 110.826 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.37 -60.65 3.44 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.018 0.372 . . . . 0.0 110.823 -178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.9 p -62.25 -34.98 66.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 O-C-N 122.032 -0.418 . . . . 0.0 111.689 -177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -59.23 -25.92 64.43 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.017 0.826 . . . . 0.0 111.492 179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -73.15 -11.18 60.44 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.452 0.569 . . . . 0.0 111.867 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.29 141.44 30.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.008 1.323 . . . . 0.0 109.026 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 p -83.59 166.16 18.42 Favored 'General case' 0 C--O 1.225 -0.217 0 C-N-CA 123.602 0.761 . . . . 0.0 110.185 -178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -49.84 -40.67 42.96 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.177 -0.952 . . . . 0.0 111.822 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -53.44 -55.46 25.04 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.967 0.889 . . . . 0.0 109.549 176.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -59.57 -47.03 87.14 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.5 mt -52.74 -49.27 65.79 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.855 0.752 . . . . 0.0 110.451 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -59.78 -42.24 92.9 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.55 92.55 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -60.54 -48.55 81.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.811 1.244 . . . . 0.0 107.877 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.33 -52.88 63.75 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.902 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -51.34 -52.91 41.31 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.509 0.724 . . . . 0.0 110.709 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -47.02 -68.22 0.21 Allowed 'General case' 0 C--N 1.338 0.087 0 C-N-CA 124.401 1.08 . . . . 0.0 109.745 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.3 mtm -58.95 -25.27 63.37 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 123.844 0.857 . . . . 0.0 113.267 -178.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -83.48 -4.05 58.16 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 118.415 -0.802 . . . . 0.0 112.566 176.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -135.54 50.36 2.12 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -176.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.43 -1.444 0 N-CA-C 105.785 -1.932 . . . . 0.0 105.785 -171.407 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.507 HMB1 ' CBB' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.406 -0.331 . . . . 0.0 110.326 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -73.12 41.1 0.1 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.788 1.635 . . . . 0.0 115.376 -173.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.96 -61.56 3.72 Favored Glycine 0 CA--C 1.529 0.935 0 CA-C-N 119.482 1.037 . . . . 0.0 112.618 176.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.15 -50.76 4.78 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 127.171 2.189 . . . . 0.0 112.275 -177.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.09 -35.58 26.01 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.703 1.201 . . . . 0.0 112.328 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.91 -49.41 7.1 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 177.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -46.76 -39.97 12.67 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.351 1.06 . . . . 0.0 113.164 -176.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 pptp? -45.6 -31.63 1.96 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 178.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -50.42 16.32 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.87 0.843 . . . . 0.0 109.866 177.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -56.94 -33.84 67.41 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 127.024 2.13 . . . . 0.0 110.187 -176.571 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.1 mt -46.87 -34.78 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 123.479 0.712 . . . . 0.0 110.592 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.75 -37.6 9.24 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.756 -0.469 . . . . 0.0 112.314 177.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 m -110.66 -22.39 11.63 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.518 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -104.1 -19.09 14.29 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -173.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.99 159.76 13.2 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.28 -46.2 35.62 Favored 'General case' 0 CA--C 1.533 0.289 0 O-C-N 121.913 -0.757 . . . . 0.0 112.72 -177.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -83.67 -6.5 59.46 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.99 0.916 . . . . 0.0 113.185 -177.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 75.13 16.24 80.7 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 120.655 -1.278 . . . . 0.0 111.674 -175.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.9 p -81.64 -32.64 31.79 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 126.287 1.835 . . . . 0.0 113.059 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -58.31 114.05 2.24 Favored 'General case' 0 N--CA 1.434 -1.243 0 C-N-CA 123.514 0.726 . . . . 0.0 112.127 -174.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.92 80.67 1.66 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.923 0.889 . . . . 0.0 108.805 178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.84 171.55 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.662 1.985 . . . . 0.0 114.387 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.9 mtp -17.74 99.18 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 127.777 2.431 . . . . 0.0 115.263 -176.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.47 56.07 2.9 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.871 -0.492 . . . . 0.0 111.871 177.166 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 16.1 m 45.12 47.68 9.83 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.025 1.33 . . . . 0.0 112.73 176.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.03 140.64 42.82 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.061 0.544 . . . . 0.0 111.652 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.22 119.73 25.36 Favored Pre-proline 0 N--CA 1.449 -0.515 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 174.001 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -53.84 142.37 63.37 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.397 1.398 . . . . 0.0 111.955 -178.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.0 t -77.81 -36.18 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.135 0.974 . . . . 0.0 110.261 -176.683 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.4 tptt -23.42 90.91 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 128.269 2.628 . . . . 0.0 110.588 179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 34.44 58.08 0.7 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 126.171 1.843 . . . . 0.0 115.665 -177.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -48.74 -51.7 27.49 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 123.096 1.427 . . . . 0.0 108.582 175.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.59 130.46 1.12 Allowed Glycine 0 C--O 1.22 -0.777 0 C-N-CA 127.259 2.361 . . . . 0.0 109.126 172.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.3 -43.47 4.96 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.574 2.187 . . . . 0.0 113.132 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.87 -48.98 69.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.216 0.462 . . . . 0.0 110.421 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -55.12 -56.19 22.61 Favored 'General case' 0 N--CA 1.437 -1.086 0 C-N-CA 125.074 1.349 . . . . 0.0 108.647 179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.5 mt -50.86 -60.22 3.3 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 126.317 1.847 . . . . 0.0 109.049 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -46.66 -54.83 8.78 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 119.164 0.893 . . . . 0.0 111.782 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -54.77 -46.76 74.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 O-C-N 123.023 0.202 . . . . 0.0 111.167 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 41.7 mttp -61.59 -56.29 21.52 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.161 179.203 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -43.85 76.31 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 121.213 1.824 . . . . 0.0 111.3 177.483 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -58.71 -46.71 86.7 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 177.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.96 -48.54 81.79 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 124.785 1.183 . . . . 0.0 111.645 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -58.39 -57.6 12.19 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.596 1.159 . . . . 0.0 108.225 177.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.91 69.68 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.194 0.598 . . . . 0.0 111.33 -179.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.71 -33.89 76.02 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.385 0.674 . . . . 0.0 110.913 178.325 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.82 19.75 30.67 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.206 0.907 . . . . 0.0 111.515 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.74 -57.24 2.81 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -78.8 63.22 3.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.63 131.41 2.35 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.07 -0.586 . . . . 0.0 113.377 -178.519 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.56 148.74 20.66 Favored Glycine 0 CA--C 1.532 1.097 0 N-CA-C 107.315 -2.314 . . . . 0.0 107.315 174.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 37.0 -103.78 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.232 2.213 . . . . 0.0 113.032 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -47.96 -36.55 12.72 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.684 1.194 . . . . 0.0 112.681 -177.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -66.4 -12.98 59.94 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.64 -40.5 53.33 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.188 0.595 . . . . 0.0 111.297 177.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.8 mtt -54.91 -57.34 12.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.28 0.632 . . . . 0.0 110.224 179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' HG22 ' A' ' 61' ' ' VAL . 46.8 mtm -61.76 -45.85 92.11 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.513 0.725 . . . . 0.0 110.244 178.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 87.0 m -46.46 -48.01 19.09 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.528 0.731 . . . . 0.0 109.495 178.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -72.45 -46.2 56.08 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.787 176.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.71 -63.95 1.01 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 118.555 0.616 . . . . 0.0 112.544 -176.358 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 57' ' ' MET . 4.3 m -62.51 -26.21 39.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 O-C-N 121.622 -0.674 . . . . 0.0 111.729 -178.013 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -62.05 -21.98 65.37 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.924 0.784 . . . . 0.0 110.837 176.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.07 -20.44 60.96 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.841 0.746 . . . . 0.0 111.017 176.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.17 178.11 5.84 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.853 1.261 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.2 p -125.65 167.49 15.03 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.757 0.823 . . . . 0.0 110.127 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -44.2 -46.89 9.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.008 0.923 . . . . 0.0 113.355 -176.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -50.58 -54.03 25.82 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-O 121.659 0.742 . . . . 0.0 109.996 178.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.05 -55.91 28.64 Favored 'General case' 0 N--CA 1.424 -1.764 0 C-N-CA 125.158 1.383 . . . . 0.0 109.393 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 mt -51.52 -51.73 52.85 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 123.354 0.409 . . . . 0.0 110.957 -178.677 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -57.2 -48.44 78.77 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.31 72.4 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -179.731 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.14 -50.86 44.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 -179.638 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.81 -50.22 69.1 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.203 174.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -56.37 -53.64 54.93 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.493 0.317 . . . . 0.0 110.486 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -54.37 -55.13 31.66 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 110.65 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 mtm -61.95 -25.75 67.78 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.7 t -83.09 6.94 17.34 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.719 175.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -143.3 50.0 1.41 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.399 -2.075 . . . . 0.0 105.399 179.201 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.7 tp . . . . . 0 N--CA 1.434 -1.232 0 N-CA-C 104.894 -2.262 . . . . 0.0 104.894 -172.695 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.667 HBB2 ' HHC' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.508 0 CA-C-O 118.241 -0.885 . . . . 0.0 109.674 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 4.99 68.62 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 130.023 3.329 . . . . 0.0 116.572 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.44 -48.92 1.24 Allowed Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.735 -0.603 . . . . 0.0 114.59 176.553 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.34 -46.8 55.94 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.509 1.124 . . . . 0.0 112.977 -176.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.61 73.98 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 120.033 -0.667 . . . . 0.0 110.549 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.54 -42.29 70.74 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.581 1.552 . . . . 0.0 109.865 -178.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -48.43 -29.15 3.77 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.206 1.002 . . . . 0.0 113.268 179.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -54.21 -37.31 64.43 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.34 -0.85 . . . . 0.0 110.58 177.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 m -91.92 37.35 0.97 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.6 0.76 . . . . 0.0 110.839 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.24 -32.91 0.7 Allowed 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.34 1.456 . . . . 0.0 112.274 -174.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.3 mt -47.4 153.42 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.683 1.593 . . . . 0.0 109.36 174.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.14 -54.91 4.93 Favored Glycine 0 CA--C 1.524 0.63 0 CA-C-O 118.564 -1.131 . . . . 0.0 110.298 -179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 55.6 m -77.2 -40.51 44.89 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.697 1.749 . . . . 0.0 107.815 178.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.553 ' CE1' HG21 ' A' ' 29' ' ' VAL . 96.6 m-70 -104.11 11.74 34.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.044 0.938 . . . . 0.0 111.641 177.218 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.56 -102.53 1.51 Allowed Glycine 0 C--N 1.335 0.491 0 N-CA-C 107.29 -2.324 . . . . 0.0 107.29 174.728 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.48 30.27 1.12 Allowed 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 172.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -161.16 -103.17 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -173.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.66 31.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.814 1.197 . . . . 0.0 111.66 177.828 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.1 m -90.68 -44.66 9.35 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 117.728 0.764 . . . . 0.0 111.343 -178.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 150.45 48.54 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.66 130.63 39.86 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.54 -122.24 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.746 0.818 . . . . 0.0 110.143 -178.154 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.5 mtt -69.35 75.75 0.37 Allowed 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.642 -0.661 . . . . 0.0 109.796 177.201 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.8 -173.8 55.08 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.237 -1.145 . . . . 0.0 110.237 -177.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 m -40.92 101.92 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.725 2.01 . . . . 0.0 112.91 -178.724 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.15 133.66 37.44 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 124.742 1.217 . . . . 0.0 107.724 179.865 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -58.17 123.39 64.96 Favored Pre-proline 0 N--CA 1.432 -1.33 0 C-N-CA 125.348 1.459 . . . . 0.0 109.075 177.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -51.56 134.82 47.26 Favored 'Trans proline' 0 N--CA 1.45 -1.029 0 C-N-CA 121.945 1.763 . . . . 0.0 109.875 175.806 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG21 ' CE1' ' A' ' 14' ' ' HIS . 33.6 t -85.26 -36.8 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 124.871 1.268 . . . . 0.0 110.217 -175.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -43.96 101.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.792 1.237 . . . . 0.0 110.131 -179.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 62.65 40.55 99.3 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 117.19 1.636 . . . . 0.0 117.19 176.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -57.94 -58.62 7.61 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.272 2.036 . . . . 0.0 108.27 172.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.12 137.75 2.26 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 127.492 2.472 . . . . 0.0 108.592 175.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.03 -44.12 64.04 Favored 'General case' 0 C--O 1.224 -0.259 0 CA-C-N 119.708 1.754 . . . . 0.0 112.561 -176.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.59 -54.87 40.16 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 118.495 0.589 . . . . 0.0 110.128 178.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -48.21 -57.97 5.17 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 125.487 1.515 . . . . 0.0 108.411 179.3 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD23 HMA3 ' A' ' 80' ' ' HEC . 31.3 mt -52.26 -68.09 0.2 Allowed 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 113.646 -1.615 . . . . 0.0 109.129 179.224 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -38.18 -61.72 0.64 Allowed 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 125.977 1.711 . . . . 0.0 111.81 -179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -53.7 -42.1 67.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.949 -178.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -75.9 -44.15 41.79 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 117.979 -1.01 . . . . 0.0 112.445 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.78 -37.65 85.15 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 121.034 1.743 . . . . 0.0 109.36 174.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -63.18 -46.96 84.64 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 175.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.21 -50.04 41.59 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.037 1.303 . . . . 0.0 110.695 177.256 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -62.36 -57.97 9.39 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.453 0.701 . . . . 0.0 109.483 178.579 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.83 66.91 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 121.636 -0.665 . . . . 0.0 112.51 -179.191 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -69.95 -22.64 63.16 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.448 1.099 . . . . 0.0 111.346 178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.22 20.08 63.39 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 123.603 0.621 . . . . 0.0 111.657 -178.825 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -90.79 -52.09 5.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 176.163 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -83.25 147.91 27.71 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 174.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.43 -172.63 40.25 Favored Glycine 0 CA--C 1.523 0.592 0 CA-C-N 119.463 1.029 . . . . 0.0 111.657 179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.04 162.34 22.15 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 106.485 -2.646 . . . . 0.0 106.485 -179.014 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.72 -54.29 19.73 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.953 1.377 . . . . 0.0 112.429 -176.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -59.7 -23.56 63.23 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.055 0.542 . . . . 0.0 112.311 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -88.83 1.9 54.51 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 111.268 -176.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.6 -51.4 70.06 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.608 1.095 . . . . 0.0 111.785 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 54.8 ttm -57.19 -50.33 73.18 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.8 ttp -54.49 -50.35 68.0 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.339 0.655 . . . . 0.0 109.915 177.74 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 m -50.83 -52.93 36.56 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.885 0.874 . . . . 0.0 108.814 178.753 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -43.52 95.11 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 120.196 -0.601 . . . . 0.0 110.603 178.534 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.69 -51.3 67.73 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 118.588 0.631 . . . . 0.0 110.416 -179.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 32.7 m -74.13 -23.45 18.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 118.951 -0.547 . . . . 0.0 112.035 179.681 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -54.68 -33.86 61.46 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 119.576 1.08 . . . . 0.0 109.981 178.232 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -64.91 -22.49 67.0 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 123.907 0.883 . . . . 0.0 112.436 -179.9 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 131.11 34.84 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.913 1.285 . . . . 0.0 112.566 -174.35 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -76.72 174.25 10.68 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 172.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -55.45 -46.59 76.77 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.14 -0.975 . . . . 0.0 110.965 179.13 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 1.9 mp0 -52.31 -53.19 47.37 Favored 'General case' 0 N--CA 1.439 -0.992 0 C-N-CA 125.209 1.403 . . . . 0.0 110.457 177.601 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -61.11 -44.59 97.12 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.056 179.125 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.72 -45.95 85.06 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.491 179.138 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -59.73 -45.11 93.17 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.13 -34.58 78.37 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.197 -0.315 . . . . 0.0 111.839 178.061 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.0 tp -62.59 -52.83 61.83 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 178.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.56 -51.51 62.68 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.639 176.486 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -52.82 -50.64 63.28 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.724 0.41 . . . . 0.0 110.648 178.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -53.73 -58.45 7.18 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.156 0.982 . . . . 0.0 110.235 178.662 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 13.1 mmt -56.15 -34.8 66.48 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 124.018 0.927 . . . . 0.0 111.29 179.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -82.05 9.54 8.26 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 117.766 -1.111 . . . . 0.0 113.349 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -142.77 38.89 1.49 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 178.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.431 -1.423 0 C-N-CA 125.979 1.712 . . . . 0.0 108.152 -174.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.587 HMB1 HBB3 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -59.64 155.75 14.98 Favored 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.838 0.711 . . . . 0.0 109.589 178.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.67 -61.91 3.22 Favored Glycine 0 CA--C 1.528 0.844 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 -176.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.36 -54.64 44.45 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 123.569 0.748 . . . . 0.0 110.937 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.87 84.94 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.597 0.359 . . . . 0.0 111.106 -179.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.08 -44.61 95.28 Favored 'General case' 0 N--CA 1.436 -1.171 0 C-N-CA 125.547 1.539 . . . . 0.0 110.788 -179.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -54.14 -40.95 67.88 Favored 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -176.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -31.22 -56.64 0.24 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.115 1.366 . . . . 0.0 113.414 -177.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 m -61.41 -40.39 94.24 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 -178.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -60.24 -28.1 67.76 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 125.743 1.617 . . . . 0.0 110.953 -175.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt -48.0 -35.42 5.1 Favored 'Isoleucine or valine' 0 C--N 1.341 0.214 0 C-N-CA 123.862 0.865 . . . . 0.0 109.329 175.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.56 -41.47 9.38 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.194 -0.781 . . . . 0.0 112.651 178.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 32.3 m -106.62 -33.18 7.73 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-N 118.073 0.937 . . . . 0.0 111.745 -178.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -95.42 -26.57 15.81 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 115.409 1.633 . . . . 0.0 115.409 -174.021 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.55 170.05 46.04 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -177.156 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.84 -65.28 0.58 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.473 0.709 . . . . 0.0 110.908 -177.76 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.68 34.3 0.49 Allowed 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.074 0.55 . . . . 0.0 110.711 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 38.35 36.67 0.41 Allowed Glycine 0 CA--C 1.531 1.044 0 C-N-CA 126.439 1.971 . . . . 0.0 113.893 -178.07 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -98.72 -25.07 14.8 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 116.049 1.87 . . . . 0.0 116.049 -168.073 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.6 pttt -79.8 37.67 0.36 Allowed 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 120.996 1.725 . . . . 0.0 112.916 -172.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 53.74 -113.91 0.82 Allowed 'General case' 0 C--N 1.342 0.239 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 -175.284 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.25 168.8 2.81 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 129.057 2.943 . . . . 0.0 106.603 171.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.0 mtt -42.9 108.89 0.11 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.061 1.345 . . . . 0.0 111.965 -177.183 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 107.86 -97.42 1.14 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 108.718 -1.753 . . . . 0.0 108.718 -178.232 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.9 m -159.22 137.91 10.89 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.405 ' HB1' HBD1 ' A' ' 80' ' ' HEC . . . -165.54 152.65 10.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 -173.835 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -58.61 118.49 28.87 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 172.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -62.39 144.56 95.18 Favored 'Trans proline' 0 N--CA 1.444 -1.44 0 N-CA-C 107.519 -1.762 . . . . 0.0 107.519 179.255 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 t -66.84 -37.05 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.637 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -27.12 98.93 0.01 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 127.961 2.504 . . . . 0.0 111.285 178.658 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 36.91 37.96 0.28 Allowed Glycine 0 CA--C 1.53 0.974 0 C-N-CA 126.977 2.227 . . . . 0.0 114.849 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.319 3.7 pt20 -61.74 -34.24 75.47 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.585 1.693 . . . . 0.0 111.289 -177.101 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.15 123.4 1.26 Allowed Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.227 1.87 . . . . 0.0 112.127 170.081 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.7 -42.97 26.18 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.358 2.079 . . . . 0.0 112.324 178.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -59.53 -55.4 35.08 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -45.48 -61.01 1.86 Allowed 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 126.919 2.088 . . . . 0.0 108.871 177.672 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -53.75 -62.62 1.54 Allowed 'General case' 0 N--CA 1.422 -1.832 0 C-N-CA 128.109 2.564 . . . . 0.0 109.171 -178.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -43.56 -59.06 2.33 Favored 'General case' 0 CA--C 1.512 -0.483 0 C-N-CA 124.439 1.096 . . . . 0.0 111.376 179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -50.69 -49.05 58.33 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.028 -179.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.0 mttp -68.18 -46.48 70.58 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.344 -178.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -35.36 79.29 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 120.866 1.666 . . . . 0.0 110.023 175.218 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -61.49 -47.29 86.31 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 174.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.86 -53.07 31.54 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 124.86 1.219 . . . . 0.0 110.99 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -64.58 -49.16 72.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.704 0.802 . . . . 0.0 110.872 -179.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.07 -45.42 90.85 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 121.644 -0.66 . . . . 0.0 111.279 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -68.62 -37.96 80.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.102 0.561 . . . . 0.0 110.351 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 11.65 34.97 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.608 1.099 . . . . 0.0 111.327 -178.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.46 -41.88 60.02 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 176.453 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.07 144.97 27.0 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.69 -172.45 41.17 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.011 -1.235 . . . . 0.0 110.011 -179.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.17 163.05 12.98 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 108.174 -1.97 . . . . 0.0 108.174 -179.117 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.37 -46.95 47.82 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.868 0.834 . . . . 0.0 112.082 -178.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -70.24 -26.98 64.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.047 0.539 . . . . 0.0 111.744 179.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -80.38 -25.56 39.06 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.581 0.752 . . . . 0.0 110.658 -178.393 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -33.58 -53.77 0.43 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.643 1.577 . . . . 0.0 115.211 -176.209 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 94.3 mtp -54.2 -59.29 4.86 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 121.67 0.747 . . . . 0.0 110.412 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 34.7 ttp -55.99 -44.59 78.76 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.352 1.061 . . . . 0.0 109.974 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 m -55.65 -52.41 63.92 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 -179.307 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -40.33 93.44 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-O 119.2 -0.429 . . . . 0.0 109.993 178.238 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.47 -56.78 17.44 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.442 0.565 . . . . 0.0 109.815 179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.6 m -64.89 -25.95 38.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 O-C-N 121.826 -0.547 . . . . 0.0 111.447 179.189 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.29 -27.22 61.95 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.306 0.957 . . . . 0.0 110.261 176.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -73.33 -17.34 61.31 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.196 0.453 . . . . 0.0 111.98 179.27 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.16 -161.08 0.5 Allowed 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 125.395 1.478 . . . . 0.0 110.419 -179.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.3 m -146.49 -77.41 0.18 Allowed 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 177.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -153.75 -51.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 122.519 0.328 . . . . 0.0 111.753 -176.066 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.38 -49.74 66.57 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 122.603 1.192 . . . . 0.0 107.986 177.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -50.83 -57.39 8.54 Favored 'General case' 0 N--CA 1.424 -1.752 0 C-N-CA 128.143 2.577 . . . . 0.0 109.728 177.02 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.9 mt -56.27 -50.08 72.39 Favored 'General case' 0 N--CA 1.434 -1.261 0 C-N-CA 124.575 1.15 . . . . 0.0 111.198 -178.028 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -58.7 -48.24 81.79 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.23 -34.92 78.5 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.505 HD21 HMB1 ' A' ' 80' ' ' HEC . 10.9 tp -70.37 -48.74 54.87 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 -177.432 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.48 -52.84 52.33 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.999 0.52 . . . . 0.0 111.173 172.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -56.61 -54.99 39.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.31 -0.243 . . . . 0.0 110.68 -178.75 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -53.24 -51.26 62.78 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.331 0.586 . . . . 0.0 110.715 -179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 5.3 mtp -60.76 -29.98 69.73 Favored 'General case' 0 N--CA 1.441 -0.893 0 C-N-CA 124.413 1.085 . . . . 0.0 111.784 178.928 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.3 t -76.24 2.79 12.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.339 175.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -130.18 38.63 3.76 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.873 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 104.738 -2.319 . . . . 0.0 104.738 -175.322 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.505 HMB1 HD21 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 118.021 -0.99 . . . . 0.0 108.96 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.85 148.48 4.09 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 124.179 0.992 . . . . 0.0 110.943 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.88 -62.15 2.48 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.75 -51.5 69.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.946 0.898 . . . . 0.0 111.287 -178.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.08 -31.61 61.33 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.559 0.743 . . . . 0.0 111.857 -179.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 6' ' ' LEU . 4.8 mp -79.1 -59.25 2.85 Favored 'General case' 0 N--CA 1.443 -0.808 0 C-N-CA 124.184 0.994 . . . . 0.0 108.499 178.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -43.41 -45.93 6.44 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.933 1.693 . . . . 0.0 113.161 -176.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.01 -31.96 2.55 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -179.654 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -76.98 -45.03 28.82 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 122.052 0.929 . . . . 0.0 110.632 179.26 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.6 m -58.41 -31.9 68.14 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 126.72 2.008 . . . . 0.0 110.183 -175.279 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.9 mt -44.02 -36.08 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.62 1.168 . . . . 0.0 110.928 174.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.57 -42.76 14.48 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-N 118.245 0.475 . . . . 0.0 112.111 178.492 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.7 m -99.11 -34.71 10.28 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 117.282 0.541 . . . . 0.0 110.999 179.276 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.435 ' HB3' ' HA2' ' A' ' 18' ' ' GLY . 72.8 m-70 -81.9 -33.13 30.61 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 115.581 1.697 . . . . 0.0 115.581 -172.493 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 79.35 100.24 0.25 Allowed Glycine 0 CA--C 1.53 1.014 0 CA-C-N 119.48 1.036 . . . . 0.0 113.427 175.294 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 48.47 -110.28 0.36 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 126.239 1.815 . . . . 0.0 111.82 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -64.58 -12.31 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.362 1.065 . . . . 0.0 111.876 179.857 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' ' 14' ' ' HIS . . . 101.83 41.04 2.56 Favored Glycine 0 N--CA 1.444 -0.786 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.165 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -87.93 -32.63 18.81 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 126.552 1.941 . . . . 0.0 114.8 -172.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -76.75 139.35 40.4 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.582 -175.233 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.17 102.29 3.56 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 107.301 -1.37 . . . . 0.0 107.301 176.589 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -175.49 0.12 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.649 0.78 . . . . 0.0 112.058 -178.661 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.5 mmt -30.91 119.66 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.355 1.862 . . . . 0.0 113.625 -176.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.94 39.58 63.9 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.182 0.896 . . . . 0.0 112.644 178.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 m 52.26 52.8 13.54 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.122 0.969 . . . . 0.0 111.094 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.5 149.87 49.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.005 0.922 . . . . 0.0 112.447 -177.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tmtp? -54.35 118.58 16.72 Favored Pre-proline 0 N--CA 1.447 -0.583 0 C-N-CA 124.593 1.157 . . . . 0.0 108.605 173.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.72 148.8 72.31 Favored 'Trans proline' 0 N--CA 1.449 -1.14 0 CA-C-N 120.065 1.059 . . . . 0.0 110.547 177.109 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.1 t -76.49 -41.44 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 118.465 -0.778 . . . . 0.0 110.144 -177.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -19.98 85.84 0.0 OUTLIER 'General case' 0 C--N 1.344 0.334 0 C-N-CA 127.387 2.275 . . . . 0.0 113.328 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 41.78 54.87 4.14 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 125.758 1.647 . . . . 0.0 115.795 179.713 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -49.03 -52.88 22.75 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-O 123.008 1.385 . . . . 0.0 109.174 174.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.11 137.24 2.23 Favored Glycine 0 C--O 1.222 -0.655 0 CA-C-N 112.389 -2.187 . . . . 0.0 109.484 174.309 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.76 14.82 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 120.091 1.946 . . . . 0.0 112.314 -178.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mp0 -57.52 -56.26 24.15 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.714 0.805 . . . . 0.0 109.61 178.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -54.92 -59.05 5.26 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.111 1.364 . . . . 0.0 109.387 179.788 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.2 mt -53.62 -49.16 68.44 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.879 1.271 . . . . 0.0 110.866 -177.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -56.73 -60.46 3.52 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 123.183 0.593 . . . . 0.0 110.484 179.268 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -54.82 -47.82 73.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.109 -176.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -69.06 -41.6 77.37 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 121.638 -0.664 . . . . 0.0 111.035 -178.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.441 ' SD ' HD13 ' A' ' 69' ' ' LEU 0.262 3.6 ppp? -68.08 -39.16 82.96 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 119.031 0.832 . . . . 0.0 110.361 179.34 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.03 -45.55 86.77 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.65 -61.01 3.08 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 126.905 2.193 . . . . 0.0 111.374 174.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -61.97 -52.8 62.55 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.248 1.419 . . . . 0.0 109.659 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.8 -36.96 65.49 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 123.609 0.764 . . . . 0.0 111.891 -179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -86.52 11.17 13.25 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.077 0.551 . . . . 0.0 111.168 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.33 33.43 11.33 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.436 1.017 . . . . 0.0 112.008 -178.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.2 m -108.53 -54.97 2.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.789 0.836 . . . . 0.0 108.757 -176.537 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -84.5 95.72 8.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 175.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.37 -176.97 45.88 Favored Glycine 0 CA--C 1.522 0.469 0 C-N-CA 118.592 -1.766 . . . . 0.0 113.507 -179.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.94 171.62 44.66 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 107.189 -2.364 . . . . 0.0 107.189 179.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -41.99 -57.69 2.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.888 1.275 . . . . 0.0 112.36 -177.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -51.91 -27.41 12.9 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.994 1.318 . . . . 0.0 113.975 -179.512 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -87.42 -27.11 22.93 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.254 1.022 . . . . 0.0 111.285 -177.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -26.9 -55.3 0.08 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.999 2.12 . . . . 0.0 116.22 -173.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -53.14 -55.26 25.51 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.644 0.735 . . . . 0.0 109.808 -179.665 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 32.6 ttp -61.26 -49.79 75.65 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.79 178.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 m -45.91 -55.59 6.54 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.564 0.746 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.9 97.39 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 118.989 -0.529 . . . . 0.0 110.532 179.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.73 -59.6 4.78 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.6 0.636 . . . . 0.0 110.71 -179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.7 -29.71 47.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.861 -0.524 . . . . 0.0 111.63 -179.227 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -56.4 -25.17 49.16 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.098 0.863 . . . . 0.0 111.09 176.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -75.7 -18.72 59.52 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.825 0.738 . . . . 0.0 112.386 179.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.85 144.78 29.02 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.432 1.093 . . . . 0.0 110.382 -177.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 51.0 p -84.32 171.93 12.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.637 1.175 . . . . 0.0 110.091 -179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -56.33 -41.87 76.76 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 121.434 -0.791 . . . . 0.0 111.402 178.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -55.73 -52.25 64.54 Favored 'General case' 0 N--CA 1.457 -0.097 0 CA-C-O 121.592 0.711 . . . . 0.0 109.607 178.319 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -59.54 -41.51 90.23 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.164 177.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD13 ' SD ' ' A' ' 41' ' ' MET . 0.8 OUTLIER -59.0 -53.95 52.67 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.6 0.636 . . . . 0.0 109.985 -179.508 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -54.9 -45.58 74.74 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.31 -36.78 85.24 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 118.58 -0.724 . . . . 0.0 112.362 179.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -51.29 67.7 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.24 -53.7 50.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.063 178.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -53.7 -55.34 27.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -53.09 -58.42 7.07 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.515 0.726 . . . . 0.0 110.859 -179.077 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 63.5 mtm -55.92 -36.59 67.88 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 123.65 0.78 . . . . 0.0 111.129 -179.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.1 t -63.77 -7.31 7.39 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 117.584 -1.198 . . . . 0.0 113.955 179.036 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -100.74 -4.93 27.17 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 119.675 1.125 . . . . 0.0 111.493 178.002 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.4 mt . . . . . 0 N--CA 1.426 -1.65 0 C-N-CA 124.787 1.235 . . . . 0.0 111.519 -177.094 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.401 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 116.653 -1.641 . . . . 0.0 107.236 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 59.9 t0 60.71 106.4 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.869 1.668 . . . . 0.0 115.09 176.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.466 ' H ' ' HB3' ' A' ' 71' ' ' ALA . . . -33.63 -39.11 0.1 OUTLIER Glycine 0 CA--C 1.535 1.29 0 C-N-CA 127.539 2.495 . . . . 0.0 114.56 170.102 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.6 -40.74 60.41 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 118.832 1.316 . . . . 0.0 111.188 177.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.96 86.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.937 0.895 . . . . 0.0 111.167 178.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -67.32 -50.36 60.41 Favored 'General case' 0 N--CA 1.432 -1.335 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 177.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.69 -45.08 19.2 Favored 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 123.744 0.818 . . . . 0.0 112.787 -176.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -43.91 -36.62 2.48 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 124.374 1.07 . . . . 0.0 113.266 179.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -78.98 -46.04 19.06 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.922 0.867 . . . . 0.0 110.021 176.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.38 -32.92 27.71 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.914 2.886 . . . . 0.0 111.261 -179.018 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -44.06 -38.0 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.522 1.129 . . . . 0.0 110.103 175.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.3 -34.61 4.7 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.285 -0.73 . . . . 0.0 113.354 178.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.606 ' SG ' ' HB1' ' A' ' 22' ' ' ALA . 6.3 t -116.07 -30.59 5.97 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.081 0.94 . . . . 0.0 111.941 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -94.21 -12.14 28.86 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -175.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.96 -167.87 50.82 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 177.141 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.81 -85.43 0.06 Allowed 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 122.266 -0.549 . . . . 0.0 109.941 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -81.41 52.43 1.85 Allowed 'General case' 0 C--O 1.227 -0.125 0 C-N-CA 126.086 1.754 . . . . 0.0 111.359 -176.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.55 4.49 0.01 OUTLIER Glycine 0 CA--C 1.54 1.617 0 C-N-CA 129.309 3.338 . . . . 0.0 119.375 175.116 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.7 m -84.66 49.47 1.71 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 126.698 1.999 . . . . 0.0 110.758 -175.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' HB2' ' A' ' 22' ' ' ALA . 2.2 pttp -80.15 169.34 17.95 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 116.177 1.917 . . . . 0.0 116.177 -175.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.77 84.22 2.09 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 101.877 -3.379 . . . . 0.0 101.877 169.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.606 ' HB1' ' SG ' ' A' ' 13' ' ' CYS . . . -65.58 -175.13 0.24 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.023 1.329 . . . . 0.0 111.529 -175.846 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.534 ' HB2' HBC1 ' A' ' 80' ' ' HEC . 58.0 mtt -64.63 87.06 0.05 Allowed 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.14 0.882 . . . . 0.0 109.571 176.12 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.17 144.77 16.53 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.523 2.011 . . . . 0.0 108.364 -174.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.9 t -50.66 139.53 16.1 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.762 0.781 . . . . 0.0 110.933 -179.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB1' HAD2 ' A' ' 80' ' ' HEC . . . -161.31 158.58 27.29 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.365 0.666 . . . . 0.0 109.906 -176.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -59.1 117.8 24.62 Favored Pre-proline 0 N--CA 1.438 -1.03 0 C-N-CA 125.615 1.566 . . . . 0.0 109.42 177.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -59.57 146.81 94.16 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.232 1.288 . . . . 0.0 110.251 176.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -77.17 -32.3 19.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 118.861 -0.59 . . . . 0.0 110.463 -177.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -23.17 96.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.752 2.021 . . . . 0.0 112.354 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 40.36 47.99 3.69 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 126.886 2.184 . . . . 0.0 115.378 179.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -53.48 -56.97 12.48 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.854 1.827 . . . . 0.0 109.732 177.494 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.0 147.02 4.77 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-N 112.561 -2.109 . . . . 0.0 109.715 175.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.75 -46.58 88.99 Favored 'General case' 0 C--O 1.225 -0.195 0 CA-C-N 118.838 1.319 . . . . 0.0 110.914 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -62.78 -50.59 70.42 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.34 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -47.62 -57.52 5.38 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.841 1.257 . . . . 0.0 109.412 177.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.6 mt -60.04 -53.34 58.96 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.485 -178.904 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -44.59 -58.3 3.1 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.25 1.02 . . . . 0.0 111.261 178.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -50.97 -48.17 61.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.613 178.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -65.36 -44.95 86.05 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-O 117.252 -1.356 . . . . 0.0 111.765 178.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.432 ' HE3' ' HHB' ' A' ' 80' ' ' HEC . 1.3 mmm -54.08 -48.52 70.57 Favored 'General case' 0 C--N 1.349 0.547 0 CA-C-N 121.873 2.124 . . . . 0.0 109.207 176.13 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -58.45 -48.58 80.26 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.03 -49.75 35.33 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 125.652 1.596 . . . . 0.0 111.436 179.149 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.423 ' O ' HG23 ' A' ' 58' ' ' THR . 39.4 m-85 -64.28 -62.28 1.71 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 177.62 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -46.71 -48.55 20.28 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.859 1.264 . . . . 0.0 113.872 -176.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.1 p30 -78.11 0.39 24.97 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -178.767 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.31 43.28 46.99 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 123.827 0.727 . . . . 0.0 113.331 176.867 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -115.19 -59.14 2.05 Favored 'General case' 0 CA--C 1.528 0.118 0 CA-C-N 117.896 0.848 . . . . 0.0 108.893 175.63 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -76.7 57.37 1.26 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.648 0.779 . . . . 0.0 109.961 179.849 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.63 -178.04 46.92 Favored Glycine 0 CA--C 1.525 0.663 0 O-C-N 120.967 -1.083 . . . . 0.0 112.501 -178.215 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.64 -56.01 0.32 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 -179.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -84.8 -127.63 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.059 0.944 . . . . 0.0 108.935 -178.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -48.54 -36.4 15.34 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.079 1.308 . . . . 0.0 111.496 177.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -48.08 -26.17 1.73 Allowed 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.979 2.112 . . . . 0.0 112.181 177.457 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.67 -42.52 79.13 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 111.869 176.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -62.58 -55.03 31.01 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.928 0.87 . . . . 0.0 108.999 -179.603 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.3 ttp -54.15 -44.81 71.73 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 124.639 1.176 . . . . 0.0 109.523 177.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 44' ' ' TYR . 32.6 m -54.32 -54.11 44.71 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.984 0.914 . . . . 0.0 108.912 176.189 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -42.68 76.63 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 118.478 0.581 . . . . 0.0 110.273 178.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.73 -62.11 2.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.111 0.414 . . . . 0.0 110.629 -179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.0 p -61.57 -33.23 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 O-C-N 121.933 -0.48 . . . . 0.0 111.689 -177.758 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -60.88 -24.12 65.71 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.269 -0.895 . . . . 0.0 111.482 179.32 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -78.33 -5.21 51.5 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.586 0.63 . . . . 0.0 111.796 177.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.46 -167.69 1.44 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.838 1.255 . . . . 0.0 110.516 177.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.1 m -147.63 161.08 41.88 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 176.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -37.3 -53.79 1.08 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.918 -175.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -50.68 -51.44 49.37 Favored 'General case' 0 C--N 1.338 0.105 0 C-N-CA 123.921 0.889 . . . . 0.0 109.75 178.48 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.18 -40.08 86.49 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.69 -1.141 . . . . 0.0 110.383 -176.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.55 -54.28 45.21 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -57.26 -46.36 83.12 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 178.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' ' H ' ' A' ' 3' ' ' GLY . . . -65.3 -35.12 80.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.329 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mt -63.93 -52.92 57.57 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 176.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.33 54.95 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 123.247 0.342 . . . . 0.0 110.682 178.267 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -57.21 -56.93 15.49 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 122.578 0.351 . . . . 0.0 111.306 178.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -56.22 -54.3 46.85 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.522 0.677 . . . . 0.0 110.791 -177.546 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.5 mtm -59.51 -30.38 68.54 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.321 1.048 . . . . 0.0 112.42 177.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.5 t -77.97 8.25 4.96 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.531 -0.731 . . . . 0.0 111.516 174.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -137.07 40.52 2.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 -178.399 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 N--CA 1.43 -1.435 0 N-CA-C 104.328 -2.471 . . . . 0.0 104.328 -175.489 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.739 HBC2 ' HHD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 116.841 -1.552 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.76 158.78 41.46 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 119.882 1.219 . . . . 0.0 108.481 177.338 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -39.33 -47.62 2.78 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.045 1.307 . . . . 0.0 113.411 176.429 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.85 -53.92 51.39 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.08 0.94 . . . . 0.0 111.035 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.03 -47.55 68.29 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.642 0.377 . . . . 0.0 110.166 178.577 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -56.41 -53.72 54.03 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 176.258 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -50.69 -36.16 34.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.239 1.015 . . . . 0.0 113.293 -176.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -45.79 -41.36 10.81 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.412 0.551 . . . . 0.0 111.411 177.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.16 -39.08 85.13 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 111.638 179.269 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.2 m -77.34 -29.11 53.31 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 126.603 1.961 . . . . 0.0 111.71 -173.632 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.1 mt -45.5 -39.1 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 123.639 0.776 . . . . 0.0 110.006 177.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -45.87 -35.96 6.41 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.141 0.876 . . . . 0.0 113.553 178.167 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.558 ' SG ' ' HB1' ' A' ' 22' ' ' ALA . 21.7 t -110.12 -33.42 6.68 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 118.352 1.076 . . . . 0.0 112.122 -179.079 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.417 ' CE1' HG21 ' A' ' 29' ' ' VAL . 57.9 m-70 -93.27 -32.32 14.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 -174.124 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.67 162.83 36.77 Favored Glycine 0 CA--C 1.529 0.926 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -50.63 -58.53 5.61 Favored 'General case' 0 C--O 1.226 -0.176 0 C-N-CA 123.155 0.582 . . . . 0.0 111.027 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -85.66 32.29 0.59 Allowed 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.232 1.013 . . . . 0.0 112.49 -179.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 31.06 60.81 0.24 Allowed Glycine 0 CA--C 1.527 0.792 0 C-N-CA 126.964 2.221 . . . . 0.0 114.38 178.865 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.0 m -142.01 -9.56 0.89 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -176.032 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -72.55 160.86 31.58 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 120.975 1.716 . . . . 0.0 110.976 -176.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 91.11 0.18 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.4 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.558 ' HB1' ' SG ' ' A' ' 13' ' ' CYS . . . -56.05 168.03 0.54 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.716 0.806 . . . . 0.0 110.188 174.393 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.532 ' HB2' HBC1 ' A' ' 80' ' ' HEC . 46.3 mtt -56.18 122.02 10.79 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.506 -178.792 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.84 26.53 73.13 Favored Glycine 0 CA--C 1.535 1.332 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.384 -178.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.2 m 65.93 165.67 0.19 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.845 1.658 . . . . 0.0 113.563 178.273 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -169.98 157.06 6.41 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.409 1.084 . . . . 0.0 109.42 -178.585 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -64.54 146.09 98.3 Favored Pre-proline 0 C--N 1.342 0.271 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 169.283 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.2 141.45 57.17 Favored 'Trans proline' 0 N--CA 1.439 -1.712 0 N-CA-C 108.077 -1.547 . . . . 0.0 108.077 176.348 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.417 HG21 ' CE1' ' A' ' 14' ' ' HIS . 11.0 t -80.85 -27.89 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 C-N-CA 124.786 1.234 . . . . 0.0 108.587 179.867 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -27.64 95.66 0.01 OUTLIER 'General case' 0 C--N 1.343 0.297 0 C-N-CA 127.754 2.422 . . . . 0.0 111.015 177.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 35.71 52.51 1.11 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 127.05 2.262 . . . . 0.0 115.501 -179.243 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -50.6 -54.01 26.07 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-O 123.367 1.556 . . . . 0.0 109.157 176.131 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 160.89 150.4 5.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 128.103 2.764 . . . . 0.0 109.132 173.384 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.36 -42.66 99.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 117.925 0.862 . . . . 0.0 111.77 -178.289 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.7 mp0 -59.69 -55.35 35.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 179.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -49.57 -60.83 2.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.42 1.488 . . . . 0.0 109.312 177.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.416 HD23 HMA3 ' A' ' 80' ' ' HEC . 45.8 mt -56.73 -44.46 81.65 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 124.706 1.202 . . . . 0.0 111.222 -177.617 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -58.44 -55.37 35.91 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 119.209 0.913 . . . . 0.0 109.885 178.67 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -53.7 -55.53 25.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.075 -179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.8 mttm -58.85 -49.82 76.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.354 1.062 . . . . 0.0 111.614 -179.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.403 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.3 ppp? -65.88 -37.04 85.09 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 110.96 -178.373 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.63 -42.93 98.11 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 172.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.19 -51.03 49.38 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.199 -1.161 . . . . 0.0 110.199 176.558 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -58.68 -55.77 30.82 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 123.894 0.878 . . . . 0.0 109.571 176.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 61' ' ' VAL . . . -52.83 -45.82 67.47 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.413 0.685 . . . . 0.0 111.779 -179.135 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -64.86 -41.47 95.64 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.716 0.807 . . . . 0.0 109.873 177.264 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.58 17.9 17.91 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 124.788 1.185 . . . . 0.0 111.542 179.748 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.53 -57.99 2.74 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.012 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -75.68 69.07 2.35 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 178.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -163.51 -174.48 33.41 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 119.278 0.945 . . . . 0.0 112.537 -178.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 146.63 162.96 10.15 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.323 1.916 . . . . 0.0 108.965 -176.669 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 49.32 -131.89 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.391 1.077 . . . . 0.0 109.947 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -52.41 -31.85 36.19 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 126.95 2.1 . . . . 0.0 111.932 178.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -64.8 -10.1 25.5 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 123.167 0.587 . . . . 0.0 111.076 -175.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.62 -38.71 82.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.746 0.703 . . . . 0.0 109.938 171.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.7 ttm -61.36 -56.65 17.96 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 108.79 -0.818 . . . . 0.0 108.79 179.064 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 61' ' ' VAL . 3.9 ttp -53.01 -48.84 67.24 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.29 1.436 . . . . 0.0 109.254 178.477 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.9 m -50.52 -57.67 7.56 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.694 1.198 . . . . 0.0 109.516 176.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -40.71 86.7 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.547 -179.807 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -57.88 11.0 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.304 0.502 . . . . 0.0 110.551 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 57' ' ' MET . 15.3 m -67.12 -25.17 33.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 121.514 -0.741 . . . . 0.0 112.206 -179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -54.76 -30.44 56.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.688 1.131 . . . . 0.0 109.863 176.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.6 mmmt -69.16 -19.47 64.01 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -179.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.78 139.48 31.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.38 1.072 . . . . 0.0 111.784 -175.667 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.1 t -87.84 168.27 13.07 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 177.066 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -47.8 -45.79 29.94 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -176.038 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -54.28 -50.45 67.24 Favored 'General case' 0 N--CA 1.437 -1.078 0 C-N-CA 124.584 1.153 . . . . 0.0 110.581 179.17 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -64.99 -48.01 75.51 Favored 'General case' 0 N--CA 1.426 -1.628 0 C-N-CA 124.935 1.294 . . . . 0.0 109.569 -179.942 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD22 ' SD ' ' A' ' 41' ' ' MET . 95.1 mt -51.76 -56.16 15.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.972 0.909 . . . . 0.0 109.575 178.051 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -53.88 -51.0 65.06 Favored 'General case' 0 C--N 1.339 0.152 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.207 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.53 -32.97 73.04 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.512 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -45.5 77.22 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.246 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.81 -54.24 49.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.412 0.285 . . . . 0.0 110.35 176.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -51.83 -46.03 64.19 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.188 0.595 . . . . 0.0 110.575 178.427 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -60.88 -60.71 3.36 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 121.832 -0.542 . . . . 0.0 109.958 178.244 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.5 mtm -52.49 -30.23 29.02 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.734 0.813 . . . . 0.0 112.321 -179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.5 p -66.41 -18.2 65.22 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 113.893 1.072 . . . . 0.0 113.893 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -131.87 57.72 1.76 Allowed 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -177.469 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.26 26.5 tp . . . . . 0 N--CA 1.428 -1.544 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 -172.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.785 HBC2 ' HHD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 116.765 -1.588 . . . . 0.0 106.824 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.0 -65.69 0.02 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 123.518 1.628 . . . . 0.0 111.975 -178.471 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.13 -60.29 3.11 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 112.338 -2.21 . . . . 0.0 111.326 -175.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.7 -64.44 0.95 Allowed 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -175.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.46 -26.28 53.5 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 123.224 0.61 . . . . 0.0 112.502 -177.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.9 mt -75.53 -57.91 3.6 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 175.318 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -52.77 -27.03 16.09 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.561 1.544 . . . . 0.0 114.532 -175.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 pttm -54.67 -29.0 51.48 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 118.853 0.751 . . . . 0.0 110.726 176.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.6 2.39 33.53 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.727 1.211 . . . . 0.0 112.119 -178.583 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -124.81 -37.54 2.46 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 125.3 1.44 . . . . 0.0 111.092 -173.645 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 21.4 pt -45.22 -37.73 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.388 0.675 . . . . 0.0 112.412 178.454 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.98 -35.08 17.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.552 0.596 . . . . 0.0 112.319 179.303 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.4 t -109.95 -30.07 7.97 Favored 'General case' 0 C--O 1.227 -0.117 0 CA-C-N 117.702 0.751 . . . . 0.0 111.999 -178.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.426 ' CE1' HG23 ' A' ' 29' ' ' VAL . 35.4 m-70 -87.74 -23.96 23.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -176.585 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.12 175.13 37.75 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -48.05 -52.27 20.79 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 124.549 1.14 . . . . 0.0 113.033 -176.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -134.25 69.45 1.46 Allowed 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 107.47 -1.308 . . . . 0.0 107.47 -177.121 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.42 35.2 2.7 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 125.473 1.511 . . . . 0.0 112.199 -177.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.13 -39.77 22.82 Favored 'General case' 0 N--CA 1.441 -0.919 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -166.164 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -97.28 152.04 19.27 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 -173.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.18 92.38 0.55 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.083 0.953 . . . . 0.0 108.561 178.422 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' HB1' ' CHD' ' A' ' 80' ' ' HEC . . . -48.31 142.82 5.19 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.649 0.78 . . . . 0.0 111.176 179.63 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.479 ' HG3' ' HHD' ' A' ' 80' ' ' HEC . 41.3 mtt 50.92 21.05 0.88 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.755 1.222 . . . . 0.0 112.644 -173.576 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.25 18.99 56.74 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.264 -177.433 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.2 m -171.57 80.78 0.07 Allowed 'General case' 0 C--N 1.34 0.188 0 CA-C-N 118.649 1.224 . . . . 0.0 108.376 -177.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -168.92 151.54 4.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -67.8 120.93 77.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 171.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.58 140.61 75.53 Favored 'Trans proline' 0 N--CA 1.45 -1.062 0 N-CA-C 108.631 -1.334 . . . . 0.0 108.631 176.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 14' ' ' HIS . 2.0 t -52.28 -45.1 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.655 -178.551 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 tptp 5.13 65.37 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 129.151 2.981 . . . . 0.0 113.399 -177.198 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 38.96 57.14 2.06 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 126.412 1.958 . . . . 0.0 115.014 -178.069 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -37.79 -59.08 0.85 Allowed 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 122.823 1.297 . . . . 0.0 111.697 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.79 148.09 5.86 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 127.561 2.505 . . . . 0.0 107.102 177.328 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.45 -44.68 95.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.908 1.854 . . . . 0.0 111.779 -177.084 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -59.58 -54.88 41.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.985 0.514 . . . . 0.0 109.71 178.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -49.29 -60.87 2.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 125.164 1.386 . . . . 0.0 109.032 178.274 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.1 mt -51.36 -61.0 2.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.844 -179.559 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -45.48 -52.87 9.65 Favored 'General case' 0 CA--C 1.528 0.115 0 CA-C-N 119.108 0.867 . . . . 0.0 112.187 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -57.85 -41.38 82.25 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 122.25 0.22 . . . . 0.0 110.864 178.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -72.41 -45.71 58.45 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.3 179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -40.47 92.99 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 121.918 2.145 . . . . 0.0 109.366 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -60.01 -42.3 94.0 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 173.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -43.35 -62.07 2.58 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 127.321 2.391 . . . . 0.0 110.101 173.565 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' CE2' ' A' ' 49' ' ' TYR . 22.9 m-85 -61.04 -48.47 81.63 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 113.96 -1.12 . . . . 0.0 110.371 -178.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.93 -39.11 73.9 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.675 0.67 . . . . 0.0 111.489 178.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -73.72 -32.64 63.99 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.238 0.615 . . . . 0.0 110.051 179.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.3 -9.52 69.6 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 123.839 0.733 . . . . 0.0 112.07 178.074 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -65.36 -54.65 25.73 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.18 0.992 . . . . 0.0 108.826 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.478 ' CE2' ' CZ ' ' A' ' 44' ' ' TYR . 17.9 t80 -64.96 -29.4 70.33 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 122.467 1.127 . . . . 0.0 112.191 178.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -70.83 62.98 0.91 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 127.152 2.311 . . . . 0.0 114.516 -177.583 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.96 118.9 12.04 Favored Glycine 0 CA--C 1.533 1.197 0 C-N-CA 124.879 1.228 . . . . 0.0 112.005 178.823 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 35.93 -92.4 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.679 2.392 . . . . 0.0 113.791 176.149 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -49.24 -37.56 23.75 Favored 'General case' 0 C--N 1.338 0.108 0 C-N-CA 124.472 1.109 . . . . 0.0 111.95 -178.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.7 mttt -71.51 -6.86 43.69 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 124.302 1.041 . . . . 0.0 112.696 -175.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -52.97 -38.42 62.11 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.526 0.731 . . . . 0.0 111.1 176.607 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.2 ttm -56.22 -49.2 74.79 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.097 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 ttm -61.36 -46.46 90.12 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.208 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.2 m -49.14 -55.28 12.83 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.26 0.624 . . . . 0.0 109.594 175.126 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -62.32 -37.86 87.22 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 119.763 -0.775 . . . . 0.0 111.286 -179.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.47 -56.21 22.68 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.414 0.552 . . . . 0.0 110.243 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.87 -28.74 45.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 O-C-N 121.505 -0.747 . . . . 0.0 111.161 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -59.03 -22.18 60.27 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.715 0.689 . . . . 0.0 110.971 179.164 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -66.6 -21.6 66.13 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 119.817 -0.753 . . . . 0.0 111.111 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.77 163.98 12.95 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.047 -177.276 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -113.98 167.81 10.34 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.457 1.103 . . . . 0.0 109.855 179.063 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -44.74 -47.08 10.75 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.12 0.968 . . . . 0.0 113.332 -175.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -55.9 -46.99 78.24 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.55 0.69 . . . . 0.0 110.935 179.652 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -62.32 -51.22 68.53 Favored 'General case' 0 N--CA 1.426 -1.664 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 178.219 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.1 mt -49.06 -52.16 27.1 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.043 0.537 . . . . 0.0 110.839 178.849 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -57.97 -49.06 78.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-O 121.082 0.468 . . . . 0.0 109.773 179.333 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.88 70.27 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -179.809 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 tp -70.54 -48.98 52.79 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 -178.513 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.36 -56.41 16.92 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.08 173.153 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -54.19 -47.27 72.27 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 122.725 0.41 . . . . 0.0 111.698 -179.191 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.09 -58.35 9.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.443 0.697 . . . . 0.0 109.976 178.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 38.7 mtm -56.96 -30.91 64.49 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.824 0.675 . . . . 0.0 112.824 -177.822 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.7 m -54.58 -18.98 5.06 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 119.155 0.889 . . . . 0.0 113.141 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 52.2 mttp -93.49 1.6 56.73 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 118.388 -0.815 . . . . 0.0 112.702 -178.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt . . . . . 0 N--CA 1.429 -1.512 0 CA-C-O 117.444 -1.265 . . . . 0.0 111.074 -177.371 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.744 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 117.43 -1.271 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -111.63 136.01 51.43 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 119.19 0.905 . . . . 0.0 111.717 -177.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -42.64 -31.28 1.05 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 127.096 2.284 . . . . 0.0 115.022 177.375 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.83 -37.75 44.81 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.061 0.931 . . . . 0.0 111.676 177.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -53.38 24.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 176.416 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 mp -49.8 -40.28 41.09 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 125.103 1.361 . . . . 0.0 112.002 -177.157 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -38.94 -39.75 0.57 Allowed 'General case' 0 C--N 1.339 0.11 0 C-N-CA 125.642 1.577 . . . . 0.0 112.854 178.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 -37.12 4.19 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 179.169 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -69.09 -21.62 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.689 1.196 . . . . 0.0 113.153 -178.49 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -91.4 -16.57 27.18 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.166 1.787 . . . . 0.0 111.981 -175.734 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.7 mt -52.2 159.03 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 124.142 0.977 . . . . 0.0 108.964 175.598 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.38 -56.42 4.51 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -176.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 m -79.78 -46.57 16.74 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 176.312 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -97.58 -6.37 33.56 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 178.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.01 170.41 13.88 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 121.273 -0.892 . . . . 0.0 111.911 -177.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.64 73.41 2.63 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.498 0.719 . . . . 0.0 109.647 179.169 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.3 t0 72.39 97.58 0.07 Allowed 'General case' 0 C--N 1.338 0.066 0 C-N-CA 126.746 2.019 . . . . 0.0 110.611 -179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.71 -32.86 0.17 Allowed Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.972 177.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t 61.98 56.44 2.32 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 126.069 1.748 . . . . 0.0 111.071 -177.231 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -57.7 164.7 1.95 Allowed 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.422 1.076 . . . . 0.0 110.255 175.084 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.13 110.36 0.92 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.04 -129.08 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.988 0.915 . . . . 0.0 108.666 179.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 80.7 mtp -75.64 68.95 2.31 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.419 -0.801 . . . . 0.0 109.4 177.318 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.35 -178.7 17.16 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 125.974 1.75 . . . . 0.0 109.864 -178.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m -72.23 62.11 0.48 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.398 1.479 . . . . 0.0 110.962 179.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.95 136.6 57.95 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.893 1.277 . . . . 0.0 112.497 -177.068 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -54.99 134.0 67.55 Favored Pre-proline 0 N--CA 1.435 -1.209 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 171.004 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.25 122.73 10.04 Favored 'Trans proline' 0 N--CA 1.44 -1.662 0 N-CA-C 109.208 -1.112 . . . . 0.0 109.208 -179.036 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.1 -43.62 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 175.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.1 tttp -47.43 108.33 0.15 Allowed 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.924 0.889 . . . . 0.0 109.403 177.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 76.0 7.02 83.8 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-O 117.03 -1.983 . . . . 0.0 116.787 173.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.272 7.6 pt20 -74.24 -175.56 2.32 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 122.041 2.92 . . . . 0.0 107.412 172.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.68 132.33 11.31 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 119.928 -1.732 . . . . 0.0 114.379 -169.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.76 -45.88 10.2 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.101 1.36 . . . . 0.0 112.086 174.634 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -59.53 -52.41 65.68 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 123.784 0.834 . . . . 0.0 110.162 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -53.98 -55.93 22.63 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.406 1.082 . . . . 0.0 108.373 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD23 HMA3 ' A' ' 80' ' ' HEC . 80.7 mt -56.13 -46.73 79.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.84 1.256 . . . . 0.0 111.663 -178.304 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -59.69 -57.64 12.04 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.193 0.906 . . . . 0.0 109.737 -179.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -56.27 -49.5 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.006 -178.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.03 -40.58 78.53 Favored 'General case' 0 N--CA 1.438 -1.051 0 C-N-CA 123.499 0.72 . . . . 0.0 111.837 -178.744 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' ' 69' ' ' LEU . 3.2 ppp? -65.78 -40.05 91.58 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.146 0.885 . . . . 0.0 109.122 179.073 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -60.28 -50.94 71.66 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 172.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.96 -43.98 61.64 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.827 0.727 . . . . 0.0 111.787 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -62.05 -53.12 60.03 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.268 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.63 -44.92 63.11 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.822 0.737 . . . . 0.0 111.241 177.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -69.64 -14.31 62.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.664 1.186 . . . . 0.0 111.908 179.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.93 28.47 73.01 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.372 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.9 p -103.16 -55.5 2.4 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.913 0.885 . . . . 0.0 108.807 179.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -75.2 64.31 1.43 Allowed 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 123.103 0.561 . . . . 0.0 109.853 179.45 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.63 -171.28 39.25 Favored Glycine 0 CA--C 1.523 0.572 0 O-C-N 121.067 -1.021 . . . . 0.0 112.429 -179.642 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -177.0 165.76 36.02 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 108.141 -1.983 . . . . 0.0 108.141 179.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 29.92 -98.96 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.648 2.379 . . . . 0.0 113.435 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 ptp85 -44.77 -37.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 126.602 1.961 . . . . 0.0 113.832 -178.811 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -66.56 -24.93 66.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.309 0.644 . . . . 0.0 112.297 -177.244 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -40.91 -45.65 2.59 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.496 1.118 . . . . 0.0 113.401 -179.476 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.9 tpt -58.16 -52.17 66.66 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.192 0.52 . . . . 0.0 109.962 178.519 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 ttp -59.11 -49.33 78.28 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.8 m -47.19 -53.93 11.94 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.434 1.093 . . . . 0.0 110.096 176.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.16 -42.83 99.49 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.768 179.473 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.29 -46.65 87.98 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.915 0.325 . . . . 0.0 111.415 -178.477 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.43 -40.65 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -176.221 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -59.25 -10.45 2.95 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -176.607 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 mptm? -56.11 -36.73 68.5 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 173.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.31 150.91 43.12 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.417 1.487 . . . . 0.0 111.601 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.5 p -82.49 -84.44 0.12 Allowed 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.432 1.493 . . . . 0.0 112.509 -176.371 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -155.48 -53.49 0.09 Allowed 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 125.862 1.665 . . . . 0.0 108.881 179.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -48.09 -51.4 24.7 Favored 'General case' 0 C--N 1.34 0.16 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 173.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.79 -49.85 75.81 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 126.147 1.779 . . . . 0.0 111.93 179.063 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD22 ' SD ' ' A' ' 41' ' ' MET . 66.6 mt -53.44 -53.69 47.76 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 123.47 0.708 . . . . 0.0 109.438 179.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -59.31 -44.56 92.56 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 124.357 1.063 . . . . 0.0 110.176 178.469 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.41 -34.6 78.67 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 118.313 -0.851 . . . . 0.0 112.648 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mt -65.13 -49.28 70.52 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 178.389 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.83 -54.36 39.46 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 123.081 0.238 . . . . 0.0 111.346 176.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -54.03 -53.84 47.46 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.593 0.357 . . . . 0.0 110.948 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -52.5 -60.32 3.37 Favored 'General case' 0 C--O 1.226 -0.172 0 C-N-CA 123.395 0.678 . . . . 0.0 110.517 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 23.7 mtm -57.76 -30.07 65.32 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.823 0.849 . . . . 0.0 112.458 -177.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.7 t -72.03 -14.5 61.89 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.742 -0.599 . . . . 0.0 112.2 176.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -128.21 54.82 1.71 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 106.738 -1.579 . . . . 0.0 106.738 -176.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.5 tp . . . . . 0 N--CA 1.433 -1.317 0 C-N-CA 125.858 1.663 . . . . 0.0 108.36 -171.645 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.581 HMB1 HBB3 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 118.317 -0.849 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.6 145.73 22.59 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 123.872 0.732 . . . . 0.0 110.096 178.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.01 -65.07 2.65 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.026 -1.229 . . . . 0.0 110.026 -177.208 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.01 -48.24 61.46 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.336 1.454 . . . . 0.0 111.409 -178.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.07 -43.13 60.96 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.647 0.779 . . . . 0.0 111.3 179.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -72.9 -44.84 60.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.191 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -51.1 -41.24 59.89 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.675 0.62 . . . . 0.0 112.675 -178.287 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -39.81 -51.92 2.37 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.158 0.583 . . . . 0.0 112.513 -178.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -46.0 83.56 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.05 0.94 . . . . 0.0 112.127 179.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.7 m -59.54 -29.41 67.88 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 126.662 1.985 . . . . 0.0 111.164 -174.553 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.0 mt -47.36 -35.61 3.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 C-N-CA 123.705 0.802 . . . . 0.0 110.492 178.306 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.83 -34.8 11.47 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-O 119.48 -0.622 . . . . 0.0 113.252 178.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 t -112.57 -33.4 6.16 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.72 0.808 . . . . 0.0 111.767 -179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -87.25 -28.83 22.1 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 115.502 1.667 . . . . 0.0 115.502 -175.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.48 159.46 28.17 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 -173.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -51.19 -58.8 5.18 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.236 0.614 . . . . 0.0 111.242 -177.091 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -90.14 33.98 0.87 Allowed 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.301 1.04 . . . . 0.0 112.356 -179.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 46.76 32.82 6.07 Favored Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.555 1.074 . . . . 0.0 114.255 177.776 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -68.08 -43.33 78.8 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.959 1.704 . . . . 0.0 110.77 -177.798 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt 48.36 -177.7 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 129.41 3.084 . . . . 0.0 117.772 175.893 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -171.16 37.22 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 131.206 3.802 . . . . 0.0 104.78 169.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CHD' ' A' ' 80' ' ' HEC . . . -62.05 133.0 54.74 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 114.58 -1.191 . . . . 0.0 109.204 -174.795 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 57.1 mtt 44.5 46.35 8.04 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 124.131 0.895 . . . . 0.0 110.087 -171.793 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.55 -58.69 4.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.599 -1.001 . . . . 0.0 110.599 -179.708 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -156.3 137.76 13.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.839 -0.8 . . . . 0.0 109.376 179.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.27 166.87 28.73 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.754 1.221 . . . . 0.0 108.326 -178.359 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -52.84 110.7 2.1 Favored Pre-proline 0 N--CA 1.447 -0.598 0 C-N-CA 125.342 1.457 . . . . 0.0 108.067 177.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.81 137.16 74.9 Favored 'Trans proline' 0 N--CA 1.443 -1.491 0 CA-C-N 120.008 1.039 . . . . 0.0 110.052 -179.211 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.28 -35.21 66.57 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -179.637 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -30.95 100.93 0.02 OUTLIER 'General case' 0 C--N 1.343 0.312 0 C-N-CA 126.832 2.053 . . . . 0.0 111.134 175.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 47.95 26.36 4.31 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 125.467 1.508 . . . . 0.0 116.199 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.295 1.7 pt20 -71.12 161.59 30.86 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 120.847 2.323 . . . . 0.0 105.226 172.224 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.73 141.21 37.97 Favored Glycine 0 C--O 1.223 -0.593 0 O-C-N 120.485 -1.384 . . . . 0.0 113.923 -168.819 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.92 58.88 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.153 0.981 . . . . 0.0 110.117 174.26 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -57.47 -59.06 5.73 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.009 176.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -53.45 -58.61 6.54 Favored 'General case' 0 N--CA 1.432 -1.338 0 C-N-CA 125.622 1.569 . . . . 0.0 108.957 179.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.436 ' CD2' HMA3 ' A' ' 80' ' ' HEC . 25.9 mt -51.22 -53.18 37.66 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.109 0.964 . . . . 0.0 111.124 -178.578 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -58.58 -52.69 64.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 117.614 0.188 . . . . 0.0 110.504 -179.389 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.47 -50.7 70.97 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.755 0.312 . . . . 0.0 111.579 -177.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -63.68 -46.06 87.27 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 123.45 0.7 . . . . 0.0 111.242 -178.833 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.447 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.6 ppp? -64.72 -41.81 95.7 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 122.079 -0.388 . . . . 0.0 110.335 -179.206 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -61.54 -41.86 97.97 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 173.578 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.61 -53.46 20.95 Favored Glycine 0 C--N 1.337 0.612 0 C-N-CA 126.306 1.908 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -62.18 -56.1 22.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 122.756 0.422 . . . . 0.0 110.312 177.534 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.71 -50.62 32.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 122.93 0.492 . . . . 0.0 111.741 -178.054 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.36 -55.47 11.89 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.454 1.102 . . . . 0.0 110.749 179.134 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.39 30.4 1.56 Allowed Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.658 1.599 . . . . 0.0 111.688 -178.085 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -102.13 -2.74 28.74 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 125.826 1.651 . . . . 0.0 110.6 177.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -143.93 161.61 38.28 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.833 0.742 . . . . 0.0 110.613 -179.747 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.23 109.68 1.38 Allowed Glycine 0 C--N 1.337 0.584 0 N-CA-C 108.632 -1.787 . . . . 0.0 108.632 -176.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -47.15 -49.54 18.42 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.312 0.958 . . . . 0.0 111.602 -178.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.04 35.34 4.17 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.472 1.509 . . . . 0.0 108.618 175.033 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 70.82 -33.12 0.26 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 128.268 2.627 . . . . 0.0 114.355 178.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.32 55.4 mttm 72.18 42.54 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.059 1.344 . . . . 0.0 109.451 -173.428 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.24 -66.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 129.827 3.251 . . . . 0.0 116.888 -176.418 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -57.57 -50.43 73.14 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.85 0.834 . . . . 0.0 110.32 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.2 ttp -62.6 -42.39 99.54 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -52.95 -52.09 59.22 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-N 118.062 0.392 . . . . 0.0 109.998 176.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -44.17 84.72 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.03 0.532 . . . . 0.0 109.595 -179.607 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.22 -55.3 36.79 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.7 m -66.19 -36.97 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.765 -178.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -60.55 -30.25 69.66 Favored 'General case' 0 CA--C 1.532 0.281 0 O-C-N 121.383 -0.823 . . . . 0.0 111.324 -178.866 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -78.15 -9.21 59.07 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.057 0.543 . . . . 0.0 111.965 177.274 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.57 129.98 34.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.617 1.167 . . . . 0.0 108.485 179.165 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -74.81 168.69 19.39 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 176.003 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -45.12 -48.12 12.11 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.784 0.72 . . . . 0.0 112.896 -178.133 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -57.7 -47.59 81.94 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 123.88 0.872 . . . . 0.0 110.972 178.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -64.2 -40.29 95.77 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-O 118.818 -0.61 . . . . 0.0 110.849 177.756 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.447 HD22 ' SD ' ' A' ' 41' ' ' MET . 94.4 mt -54.51 -53.6 52.27 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.008 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -60.28 -49.37 77.86 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.334 0.653 . . . . 0.0 110.352 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.16 -35.06 77.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -176.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.2 -51.78 66.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.51 -52.85 60.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.412 0.285 . . . . 0.0 111.573 176.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -51.61 -49.9 61.27 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 122.356 -0.215 . . . . 0.0 111.258 178.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -60.56 -53.5 56.72 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.369 0.668 . . . . 0.0 111.038 -179.559 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.1 mtm -57.67 -32.98 67.86 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 124.322 1.049 . . . . 0.0 111.95 179.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -78.66 10.55 3.16 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.712 -0.617 . . . . 0.0 111.572 176.072 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -141.78 41.81 1.7 Allowed 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 -177.533 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 79' ' ' LEU . 5.1 mt . . . . . 0 N--CA 1.434 -1.238 0 N-CA-C 104.631 -2.359 . . . . 0.0 104.631 -177.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.618 HBB2 ' HHC' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 117.031 -1.461 . . . . 0.0 107.861 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -151.17 158.98 44.66 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 119.91 1.232 . . . . 0.0 109.843 178.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -41.37 -54.69 3.88 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 125.609 1.576 . . . . 0.0 113.056 177.21 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.73 -51.33 69.27 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 117.711 0.755 . . . . 0.0 111.416 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.14 -44.34 92.05 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.144 0.177 . . . . 0.0 110.962 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.61 -50.17 70.44 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.816 0.446 . . . . 0.0 111.439 -178.453 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -41.0 -41.71 1.72 Allowed 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 126.198 1.799 . . . . 0.0 113.717 -175.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -43.5 -41.78 4.56 Favored 'General case' 0 N--CA 1.434 -1.235 0 C-N-CA 125.537 1.535 . . . . 0.0 112.347 178.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -69.18 -18.07 63.88 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -179.286 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -88.38 -22.37 23.81 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.226 1.81 . . . . 0.0 111.207 -177.022 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.75 148.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 174.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.76 -46.94 1.27 Allowed Glycine 0 CA--C 1.522 0.48 0 N-CA-C 107.98 -2.048 . . . . 0.0 107.98 -175.066 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.75 -42.27 10.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 175.764 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CE1' HG21 ' A' ' 29' ' ' VAL . 95.9 m-70 -102.31 -14.01 17.12 Favored 'General case' 0 C--O 1.231 0.084 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -178.743 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.26 -165.0 51.95 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -176.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.04 -71.02 0.3 Allowed 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.114 -0.639 . . . . 0.0 111.084 -178.455 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -84.03 49.17 1.58 Allowed 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 124.355 1.062 . . . . 0.0 112.316 -174.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.65 35.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.088 0 C-N-CA 128.459 2.933 . . . . 0.0 114.847 179.4 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.1 p -90.76 -49.32 6.52 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 126.866 2.066 . . . . 0.0 112.31 -169.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -52.53 123.27 10.63 Favored 'General case' 0 N--CA 1.424 -1.773 0 C-N-CA 124.351 1.061 . . . . 0.0 110.188 -178.061 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.59 48.77 0.47 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.594 1.557 . . . . 0.0 111.542 -177.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 56.48 -168.47 0.1 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.63 1.172 . . . . 0.0 110.466 -176.194 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.1 mmt -81.17 60.29 4.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.47 -109.08 0.31 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.768 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.3 m -153.05 54.84 0.77 Allowed 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 117.588 0.694 . . . . 0.0 110.417 -179.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.05 160.89 24.4 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.604 1.162 . . . . 0.0 110.201 178.603 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -62.55 128.98 92.32 Favored Pre-proline 0 C--O 1.233 0.211 0 O-C-N 121.118 -0.988 . . . . 0.0 109.146 178.393 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.65 147.95 67.65 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 N-CA-C 109.424 -1.029 . . . . 0.0 109.424 174.252 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG21 ' CE1' ' A' ' 14' ' ' HIS . 16.1 t -93.01 -37.11 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 C-N-CA 123.508 0.723 . . . . 0.0 110.201 -173.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.7 tttm -35.74 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 126.126 1.77 . . . . 0.0 110.988 178.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 60.44 39.05 95.74 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-O 117.21 -1.884 . . . . 0.0 116.911 176.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -56.01 -49.61 73.16 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 121.465 2.633 . . . . 0.0 107.506 170.954 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 149.6 141.61 3.45 Favored Glycine 0 C--O 1.22 -0.722 0 C-N-CA 128.412 2.91 . . . . 0.0 110.009 171.665 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -41.74 6.94 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 124.368 1.067 . . . . 0.0 112.733 179.681 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.0 mp0 -62.13 -53.39 56.03 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.137 0.975 . . . . 0.0 110.217 179.045 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -57.76 -58.36 8.71 Favored 'General case' 0 N--CA 1.438 -1.043 0 C-N-CA 125.101 1.36 . . . . 0.0 108.401 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD23 HMA3 ' A' ' 80' ' ' HEC . 50.8 mt -53.26 -47.71 68.86 Favored 'General case' 0 N--CA 1.442 -0.852 0 C-N-CA 125.688 1.595 . . . . 0.0 110.633 -178.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -58.57 -50.48 73.63 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.733 0.697 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -59.22 -54.69 44.03 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.084 0.469 . . . . 0.0 110.992 -179.401 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.6 mttm -59.88 -49.77 76.41 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 124.8 1.24 . . . . 0.0 111.703 -178.5 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -64.29 -40.6 96.28 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 -179.287 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -62.76 -41.39 99.19 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 174.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.94 -51.11 30.7 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 125.68 1.61 . . . . 0.0 110.18 176.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' HB2' ' A' ' 54' ' ' LYS . 19.2 m-85 -72.18 -37.74 69.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.986 178.314 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.64 89.35 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.667 1.121 . . . . 0.0 110.304 179.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.07 -42.64 75.95 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.452 0.701 . . . . 0.0 109.601 176.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.7 27.12 7.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.965 1.269 . . . . 0.0 111.763 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.75 -47.44 7.92 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 109.26 178.296 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -76.62 153.57 35.15 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.613 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.97 163.13 15.61 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 126.396 1.95 . . . . 0.0 110.508 -179.048 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -89.42 -80.57 1.33 Allowed Glycine 0 C--N 1.337 0.589 0 N-CA-C 105.487 -3.045 . . . . 0.0 105.487 174.915 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -79.52 37.98 0.36 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.538 0.735 . . . . 0.0 109.861 173.478 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 -32.53 0.21 Allowed 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 129.282 3.033 . . . . 0.0 117.054 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HB2' ' CE1' ' A' ' 44' ' ' TYR 0.256 26.6 mttm 75.41 36.76 0.48 Allowed 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 127.425 2.29 . . . . 0.0 109.357 -175.002 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -19.95 -64.06 0.02 OUTLIER 'General case' 0 C--N 1.342 0.272 0 C-N-CA 129.384 3.073 . . . . 0.0 116.292 -174.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 43.9 tpp -52.88 -54.29 36.73 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 121.292 0.567 . . . . 0.0 109.76 -179.533 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 22.1 ttp -61.23 -48.72 80.18 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 118.33 -0.843 . . . . 0.0 108.728 177.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -46.51 -58.85 3.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.507 0.723 . . . . 0.0 110.398 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -40.61 87.08 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.77 -0.581 . . . . 0.0 111.234 -178.158 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.43 -48.46 80.63 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.342 0.519 . . . . 0.0 110.286 -177.473 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.3 p -77.62 -30.59 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.693 -178.353 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -51.64 -25.9 7.99 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.998 0.817 . . . . 0.0 112.947 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -62.19 -23.43 66.61 Favored 'General case' 0 N--CA 1.434 -1.242 0 O-C-N 121.68 -0.637 . . . . 0.0 111.999 178.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.65 116.17 8.87 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.576 1.15 . . . . 0.0 110.218 178.032 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.07 -68.72 0.4 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -175.058 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -158.73 -59.9 0.07 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.732 0.813 . . . . 0.0 110.307 -177.205 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -49.32 -48.37 46.42 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 122.953 1.358 . . . . 0.0 107.714 174.026 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -53.72 -55.57 25.07 Favored 'General case' 0 N--CA 1.422 -1.835 0 C-N-CA 129.409 3.084 . . . . 0.0 109.985 176.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.7 mt -53.11 -56.08 19.04 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.102 0.477 . . . . 0.0 110.602 -178.68 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -57.86 -52.57 64.93 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-O 121.303 0.573 . . . . 0.0 110.426 -179.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.27 -30.58 71.23 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.6 tp -69.94 -43.96 70.55 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 -178.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.53 -52.58 64.56 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.181 174.783 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -52.52 -49.04 65.61 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.471 0.308 . . . . 0.0 110.226 178.655 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -55.16 -59.91 4.11 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.881 0.872 . . . . 0.0 110.006 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 66.9 mtm -59.09 -25.63 63.96 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.803 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -78.77 -2.37 39.16 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.389 176.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -143.19 55.96 1.38 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 105.771 -1.937 . . . . 0.0 105.771 -178.373 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 C--O 1.254 1.332 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 -172.915 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.431 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 117.052 -1.451 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -119.06 138.97 52.49 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.648 1.113 . . . . 0.0 111.832 -177.748 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -44.32 -32.41 2.64 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.717 2.103 . . . . 0.0 114.52 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.07 -35.04 59.11 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 118.571 1.185 . . . . 0.0 112.034 178.532 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.61 -53.31 23.44 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.957 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.5 mp -51.43 -49.73 61.11 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.021 1.329 . . . . 0.0 110.65 -178.357 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -48.28 -32.17 6.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.111 0.964 . . . . 0.0 113.568 -176.448 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -54.33 -28.87 45.49 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.324 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.0 p -74.82 -24.24 58.6 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.637 0.653 . . . . 0.0 112.272 177.596 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -82.32 -34.16 28.66 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 126.231 1.812 . . . . 0.0 110.069 -178.257 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.5 mt -53.58 138.34 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 105.954 -1.869 . . . . 0.0 105.954 172.564 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 113.81 -41.3 2.24 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 107.019 -2.432 . . . . 0.0 107.019 -173.322 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 22.3 t -102.0 -37.73 8.07 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.262 1.031 . . . . 0.0 109.662 175.869 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CE1' HG21 ' A' ' 29' ' ' VAL . 59.6 m-70 -98.47 -6.3 30.65 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 115.317 1.599 . . . . 0.0 115.317 -176.358 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.9 175.62 42.12 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 108.973 -1.651 . . . . 0.0 108.973 -173.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.23 49.67 1.15 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.981 -1.305 . . . . 0.0 111.086 -179.217 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -178.17 -54.55 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.104 0.961 . . . . 0.0 112.615 -177.391 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 129.94 46.01 0.16 Allowed Glycine 0 C--N 1.334 0.465 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 -175.175 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 p -103.67 -66.99 0.91 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -171.824 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -61.9 166.63 4.36 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -169.306 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 72.41 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.859 2.064 . . . . 0.0 112.892 -176.934 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.1 117.96 4.23 Favored 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 176.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.502 ' HG2' ' HHD' ' A' ' 80' ' ' HEC . 16.7 mmt 64.12 -64.17 0.14 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.401 1.88 . . . . 0.0 110.91 -168.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.91 1.58 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 108.347 -1.901 . . . . 0.0 108.347 179.778 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -71.82 52.91 0.23 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.146 1.378 . . . . 0.0 113.804 -178.159 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.57 148.77 33.2 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.417 1.087 . . . . 0.0 109.646 178.066 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -59.46 124.17 74.1 Favored Pre-proline 0 C--O 1.232 0.167 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.351 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_exo -55.93 142.41 84.69 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 N-CA-C 108.842 -1.253 . . . . 0.0 108.842 174.621 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.509 HG21 ' CE1' ' A' ' 14' ' ' HIS . 6.1 t -92.81 -33.42 5.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 124.445 1.098 . . . . 0.0 110.328 -173.526 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -46.78 101.51 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 126.197 1.799 . . . . 0.0 109.158 177.424 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 66.06 38.46 94.04 Favored Glycine 0 CA--C 1.532 1.143 0 CA-C-O 117.676 -1.624 . . . . 0.0 116.937 175.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -61.08 -56.79 16.87 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 121.201 2.5 . . . . 0.0 107.608 172.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 152.57 140.23 3.06 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 128.237 2.827 . . . . 0.0 109.241 175.201 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.26 -51.99 4.6 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.476 1.51 . . . . 0.0 113.133 -179.037 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -62.53 -48.96 77.24 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 118.224 0.466 . . . . 0.0 110.42 -179.509 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -53.19 -52.85 57.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 124.503 1.121 . . . . 0.0 109.161 179.927 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.99 -65.72 0.6 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.516 1.127 . . . . 0.0 108.705 179.583 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -37.33 -58.45 0.83 Allowed 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 125.684 1.594 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -49.32 -44.96 44.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 112.391 -179.962 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -75.86 -45.74 34.01 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-O 117.803 -1.094 . . . . 0.0 112.222 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -36.75 80.87 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.889 1.677 . . . . 0.0 109.577 176.482 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -66.86 -42.9 84.88 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.874 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -44.32 -61.05 3.35 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 127.574 2.511 . . . . 0.0 110.707 174.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -64.16 -48.54 75.61 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -179.527 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.76 -36.7 70.11 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 119.094 0.861 . . . . 0.0 111.815 179.047 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -80.73 -1.33 42.26 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.199 0.6 . . . . 0.0 111.225 179.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 57.36 40.95 92.82 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 109.811 -1.316 . . . . 0.0 109.811 -176.616 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -138.94 31.91 2.2 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.037 0.935 . . . . 0.0 111.196 -177.019 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -153.09 151.1 29.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 176.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.94 123.48 2.79 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 -175.237 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.33 -48.88 39.9 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-N 117.796 0.798 . . . . 0.0 111.365 -179.687 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.93 33.27 4.51 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.488 1.515 . . . . 0.0 108.743 175.716 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 65.46 -26.86 0.1 Allowed 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 130.1 3.36 . . . . 0.0 117.867 176.429 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.292 38.6 mttm 72.16 41.54 0.63 Allowed 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 125.834 1.654 . . . . 0.0 110.125 -177.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -17.08 -67.61 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.627 3.171 . . . . 0.0 117.111 -175.811 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 72.1 mtm -57.93 -48.71 79.12 Favored 'General case' 0 CA--C 1.53 0.186 0 O-C-N 121.758 -0.589 . . . . 0.0 110.324 -178.187 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ttp -62.83 -42.29 99.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 177.436 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -50.78 -55.52 16.4 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.396 0.544 . . . . 0.0 109.738 176.195 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -41.38 94.2 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.631 0.373 . . . . 0.0 110.514 -179.363 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.44 -55.05 39.76 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.7 m -67.73 -29.18 44.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 120.105 -0.638 . . . . 0.0 111.516 179.686 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -55.31 -32.21 62.28 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.043 0.838 . . . . 0.0 111.232 179.485 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.77 -21.15 63.45 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 122.94 0.496 . . . . 0.0 111.95 178.977 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.11 130.49 34.49 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.423 1.089 . . . . 0.0 111.275 -177.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 p -77.46 171.17 15.3 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 175.102 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -41.65 67.03 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 120.885 -1.135 . . . . 0.0 112.113 179.495 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -49.41 -57.86 6.19 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 122.333 1.063 . . . . 0.0 109.613 176.038 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -61.39 -49.95 74.81 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.119 1.367 . . . . 0.0 110.756 -178.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.0 mt -53.37 -50.78 64.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.778 0.831 . . . . 0.0 110.245 179.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -59.01 -47.76 84.05 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.304 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.08 -36.91 83.09 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 179.132 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.5 tp -62.02 -51.15 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 107.572 -1.269 . . . . 0.0 107.572 179.468 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.61 -52.07 65.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 114.67 -1.15 . . . . 0.0 110.889 175.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -54.88 -48.03 73.52 Favored 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 123.03 0.532 . . . . 0.0 110.319 -179.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -55.92 -57.46 12.01 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.594 0.758 . . . . 0.0 110.278 179.366 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 29.4 mtm -61.49 -24.17 66.4 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 178.48 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -82.31 9.22 9.33 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.806 174.54 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -141.33 45.01 1.75 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.888 -1.893 . . . . 0.0 105.888 -178.889 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.431 -1.386 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -175.268 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.733 HBC3 HMC1 ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -72.84 37.56 0.08 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -175.63 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.46 -53.57 2.78 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-N 119.588 1.086 . . . . 0.0 112.96 178.759 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -38.2 -52.48 1.46 Allowed 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 126.834 2.054 . . . . 0.0 112.963 -177.513 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.58 41.66 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.453 1.101 . . . . 0.0 112.553 -179.504 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 6' ' ' LEU . 6.3 mp -85.87 -52.55 5.67 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.7 1.2 . . . . 0.0 108.559 177.032 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -46.09 -40.89 11.51 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.732 1.613 . . . . 0.0 112.879 -176.788 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.99 -18.29 0.28 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.638 1.175 . . . . 0.0 113.622 177.957 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -88.35 -48.6 7.53 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.425 1.09 . . . . 0.0 109.454 174.255 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 m -60.48 -30.64 69.82 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 126.225 1.81 . . . . 0.0 110.935 -175.454 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 19.8 pt -49.77 -27.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.292 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.761 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.33 -35.36 3.78 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.801 0.715 . . . . 0.0 111.886 176.885 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.6 m -114.05 -43.59 3.23 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 123.36 0.664 . . . . 0.0 109.995 176.2 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -73.81 -20.95 60.31 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -173.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.57 -177.51 43.72 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -178.888 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.59 -80.41 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 122.062 -0.67 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.73 51.68 2.08 Favored 'General case' 0 CA--C 1.528 0.105 0 C-N-CA 124.731 1.212 . . . . 0.0 110.981 -175.286 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.72 0.92 0.01 OUTLIER Glycine 0 CA--C 1.54 1.621 0 C-N-CA 130.149 3.738 . . . . 0.0 119.716 175.907 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 m -79.18 48.43 0.87 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 119.937 1.869 . . . . 0.0 112.653 -173.604 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 pttp -75.3 169.32 18.29 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.485 1.291 . . . . 0.0 114.485 -178.742 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.7 68.28 1.07 Allowed 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 103.266 -2.865 . . . . 0.0 103.266 172.099 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.82 -132.85 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.959 1.303 . . . . 0.0 111.522 -173.972 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptm -69.81 73.63 0.41 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.712 -0.618 . . . . 0.0 111.621 -179.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.82 178.12 32.16 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 125.068 1.318 . . . . 0.0 110.706 -179.125 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 m -72.81 61.84 0.56 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.818 1.247 . . . . 0.0 111.655 -179.607 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.79 150.2 36.19 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.452 1.101 . . . . 0.0 109.913 -179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -64.64 124.22 85.53 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.89 117.69 5.08 Favored 'Trans proline' 0 N--CA 1.449 -1.116 0 C-N-CA 121.663 1.576 . . . . 0.0 109.183 179.887 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -37.14 -40.91 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 C-N-CA 126.551 1.94 . . . . 0.0 113.913 178.402 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.8 tttp -25.94 89.22 0.0 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 128.599 2.76 . . . . 0.0 112.911 179.421 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 59.83 44.31 97.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 117.281 -1.844 . . . . 0.0 116.06 178.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.75 -53.29 57.05 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 121.19 2.495 . . . . 0.0 108.471 173.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.92 151.8 6.17 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 127.917 2.675 . . . . 0.0 108.402 176.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.71 -43.13 90.07 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 119.539 1.669 . . . . 0.0 112.086 -177.124 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.72 -52.74 63.03 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.252 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.8 mp0 -47.9 -62.08 1.64 Allowed 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 125.805 1.642 . . . . 0.0 108.577 177.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD23 HMA3 ' A' ' 80' ' ' HEC . 36.1 mt -53.81 -59.72 4.25 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.943 -179.742 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -43.19 -53.61 4.95 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.367 1.067 . . . . 0.0 111.7 179.316 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.2 mtpt -58.93 -47.95 83.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.396 178.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -60.74 -43.65 97.65 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-O 117.84 -1.076 . . . . 0.0 111.731 179.141 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.522 ' SD ' HMA1 ' A' ' 80' ' ' HEC . 4.6 mmm -55.75 -49.66 72.5 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 120.889 1.677 . . . . 0.0 109.287 177.341 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -59.97 -44.18 94.62 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 177.495 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.85 -49.3 54.99 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 124.739 1.162 . . . . 0.0 110.987 178.591 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -70.88 -42.07 70.5 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.32 177.306 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.84 -43.51 66.08 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.825 1.193 . . . . 0.0 110.7 178.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -73.19 -40.52 64.71 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 174.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.87 39.4 7.05 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 127.17 2.319 . . . . 0.0 110.845 178.789 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -94.87 -63.2 1.2 Allowed 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 106.043 -1.836 . . . . 0.0 106.043 174.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -56.67 125.59 22.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 172.852 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.82 -45.84 0.67 Allowed Glycine 0 C--N 1.334 0.424 0 CA-C-O 122.062 0.812 . . . . 0.0 111.222 -178.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.76 -73.81 1.41 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 103.874 -3.691 . . . . 0.0 103.874 -170.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -76.95 113.99 15.25 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 100.883 -3.747 . . . . 0.0 100.883 163.247 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.6 ttt85 -41.67 -35.7 0.82 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -171.658 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . 0.317 0.5 OUTLIER 63.36 47.08 4.1 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 122.807 1.289 . . . . 0.0 109.017 -178.833 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -42.58 -45.37 4.55 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 129.286 3.034 . . . . 0.0 113.655 -179.248 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -59.84 -49.8 76.27 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.197 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttm -62.27 -50.56 71.21 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.0 m -45.97 -59.77 2.65 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 124.048 0.939 . . . . 0.0 110.741 176.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -42.55 94.02 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 118.885 -0.579 . . . . 0.0 110.648 -177.88 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.19 -58.96 6.17 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.207 0.458 . . . . 0.0 110.653 -178.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.81 -36.35 70.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 122.616 0.366 . . . . 0.0 111.032 -178.403 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -55.88 -24.86 39.68 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.604 0.762 . . . . 0.0 112.37 179.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.29 -21.65 64.77 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.783 0.719 . . . . 0.0 111.833 179.772 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.86 138.54 33.88 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.319 1.048 . . . . 0.0 110.461 -178.435 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 p -83.01 171.23 14.04 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.821 0.849 . . . . 0.0 108.936 177.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -50.46 -47.86 56.78 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 121.255 -0.903 . . . . 0.0 112.797 -177.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -54.06 -50.72 66.12 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-O 121.603 0.716 . . . . 0.0 110.52 179.147 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.56 -48.85 77.66 Favored 'General case' 0 N--CA 1.426 -1.663 0 C-N-CA 124.166 0.986 . . . . 0.0 110.438 -179.352 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.5 mt -55.36 -51.51 66.54 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.551 0.74 . . . . 0.0 110.018 179.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -56.37 -45.08 80.67 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.248 0.619 . . . . 0.0 109.683 177.838 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.72 80.69 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 179.172 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.46 -47.07 80.39 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 -179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.19 -58.25 8.47 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.029 -1.441 . . . . 0.0 109.593 173.573 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.68 -42.6 45.91 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.484 0.713 . . . . 0.0 111.952 179.146 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -58.16 -61.44 2.56 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.481 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.3 mtm -57.77 -23.93 54.64 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.4 m -67.36 -17.95 64.95 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 118.704 -0.665 . . . . 0.0 112.783 176.337 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -134.58 61.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.493 -1.669 . . . . 0.0 106.493 -176.556 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . 0.251 34.0 tp . . . . . 0 N--CA 1.428 -1.557 0 CA-C-O 115.563 -2.161 . . . . 0.0 105.313 -171.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.522 HMA1 ' SD ' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.711 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -54.43 90.63 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -175.344 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.92 -64.17 2.34 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.152 0.882 . . . . 0.0 115.208 170.785 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.77 -58.34 4.94 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 125.175 1.39 . . . . 0.0 112.602 -173.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.96 64.1 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.298 0.639 . . . . 0.0 112.096 -178.085 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.87 -52.91 31.1 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -47.24 -41.59 18.84 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 123.86 0.864 . . . . 0.0 112.833 -177.647 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -43.76 -37.59 2.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.255 0.622 . . . . 0.0 112.118 177.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.97 -46.4 65.29 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.242 1.02 . . . . 0.0 110.887 178.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.8 m -61.31 -29.98 70.21 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 126.732 2.013 . . . . 0.0 110.741 -174.061 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 57.7 mt -44.57 -37.91 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.246 0 C-N-CA 123.772 0.829 . . . . 0.0 109.773 173.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -43.32 -37.36 3.36 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.472 1.034 . . . . 0.0 113.636 178.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 m -112.11 -35.35 5.67 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.109 0.954 . . . . 0.0 111.708 179.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -89.28 -27.78 20.33 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 115.346 1.609 . . . . 0.0 115.346 -172.683 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.85 162.21 38.02 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -177.33 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.61 -56.54 14.68 Favored 'General case' 0 C--O 1.225 -0.204 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 -179.682 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -85.93 33.38 0.6 Allowed 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.315 1.046 . . . . 0.0 112.85 -179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 33.46 40.58 0.12 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 127.833 2.635 . . . . 0.0 115.658 179.861 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.6 m -99.53 -28.75 13.08 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -173.444 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -69.58 130.33 42.13 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 120.168 1.349 . . . . 0.0 108.824 -175.553 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.64 44.24 0.44 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.688 1.195 . . . . 0.0 112.783 -177.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 24.59 -134.97 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 130.151 3.381 . . . . 0.0 115.82 179.23 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 66.0 mtp -70.28 69.32 0.37 Allowed 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.71 74.05 0.81 Allowed Glycine 0 CA--C 1.526 0.744 0 C-N-CA 123.72 0.676 . . . . 0.0 114.12 173.041 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.6 m 79.02 68.53 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 124.452 1.101 . . . . 0.0 113.119 173.515 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.25 139.89 38.11 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 107.062 -1.458 . . . . 0.0 107.062 169.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -57.63 124.12 66.35 Favored Pre-proline 0 C--O 1.233 0.221 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 174.61 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.49 142.62 70.21 Favored 'Trans proline' 0 N--CA 1.446 -1.277 0 CA-C-N 120.041 1.05 . . . . 0.0 110.115 178.65 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 54.0 t -74.53 -41.82 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 C-N-CA 123.6 0.76 . . . . 0.0 109.483 -177.015 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -29.56 93.92 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.991 2.116 . . . . 0.0 111.799 -176.573 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 51.24 46.0 51.83 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 117.482 -1.732 . . . . 0.0 116.267 177.833 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.03 -51.05 65.26 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 120.807 2.303 . . . . 0.0 107.4 171.921 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 147.95 140.44 3.35 Favored Glycine 0 C--O 1.218 -0.868 0 C-N-CA 128.285 2.85 . . . . 0.0 110.552 170.43 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.23 -43.28 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 124.631 1.172 . . . . 0.0 113.796 -179.113 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.61 -52.56 63.9 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 123.68 0.792 . . . . 0.0 109.819 178.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -56.89 -63.97 1.03 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 178.248 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD23 HMA3 ' A' ' 80' ' ' HEC . 46.3 mt -47.78 -47.18 30.89 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 125.834 1.653 . . . . 0.0 111.33 -178.232 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -62.32 -51.75 66.43 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 119.295 0.952 . . . . 0.0 111.218 178.733 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -45.6 92.46 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 120.955 0.407 . . . . 0.0 110.973 -177.564 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -69.11 -43.16 75.02 Favored 'General case' 0 N--CA 1.436 -1.157 0 C-N-CA 125.563 1.545 . . . . 0.0 110.917 -177.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.516 ' SD ' HD22 ' A' ' 69' ' ' LEU . 2.8 ppp? -67.14 -38.53 85.7 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.541 0.61 . . . . 0.0 109.546 178.559 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -61.2 -43.76 98.36 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 171.443 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.66 -40.83 48.93 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 125.616 1.579 . . . . 0.0 111.088 174.536 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -68.73 -44.96 72.74 Favored 'General case' 0 C--O 1.225 -0.191 0 C-N-CA 124.002 0.921 . . . . 0.0 110.759 174.469 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.56 -38.46 71.97 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.525 1.057 . . . . 0.0 109.942 175.5 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -80.44 5.73 14.29 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.44 1.096 . . . . 0.0 111.743 176.923 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.74 28.02 6.73 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 126.343 1.925 . . . . 0.0 113.789 -179.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.9 m -107.48 -41.65 5.01 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 117.745 0.773 . . . . 0.0 112.682 -173.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -72.01 75.74 0.92 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -173.597 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 142.51 -137.46 7.81 Favored Glycine 0 CA--C 1.525 0.687 0 O-C-N 120.981 -1.074 . . . . 0.0 110.501 177.701 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.18 171.59 33.39 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.121 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -11.63 -54.83 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 129.787 3.235 . . . . 0.0 116.874 -178.247 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -46.0 -29.68 1.54 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.655 1.182 . . . . 0.0 112.902 179.59 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -66.67 -12.16 57.1 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -179.203 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -44.37 -54.68 5.62 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -173.069 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -55.63 -56.87 15.26 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 122.091 0.948 . . . . 0.0 109.713 -178.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.3 ttp -53.91 -45.41 71.16 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.033 1.333 . . . . 0.0 110.573 178.502 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.5 m -53.85 -55.43 26.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.061 0.944 . . . . 0.0 108.931 179.507 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.48 -39.92 89.4 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.341 179.667 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.92 -59.74 4.95 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.064 0.393 . . . . 0.0 110.602 -179.367 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -60.26 -31.68 48.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 O-C-N 121.878 -0.514 . . . . 0.0 111.052 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.0 ttmm -58.73 -22.85 58.66 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.62 0.646 . . . . 0.0 111.557 178.514 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -75.37 -17.07 60.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.98 0.809 . . . . 0.0 111.836 177.935 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.56 140.77 31.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 125.031 1.332 . . . . 0.0 110.982 -176.187 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 99.7 p -88.66 166.35 14.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 176.976 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -50.25 -39.73 45.69 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -176.275 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -56.32 -52.53 64.21 Favored 'General case' 0 N--CA 1.436 -1.168 0 C-N-CA 124.331 1.052 . . . . 0.0 109.37 177.699 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.79 -46.19 90.63 Favored 'General case' 0 N--CA 1.444 -0.748 0 C-N-CA 124.384 1.074 . . . . 0.0 109.144 178.551 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.516 HD22 ' SD ' ' A' ' 41' ' ' MET . 84.3 mt -53.23 -58.17 7.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.288 0.949 . . . . 0.0 109.863 179.149 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -55.86 -47.35 77.47 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.316 0.579 . . . . 0.0 109.685 179.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.12 -29.38 70.51 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 119.07 -0.491 . . . . 0.0 112.272 179.398 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -48.63 63.48 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 105.809 -1.923 . . . . 0.0 105.809 -179.746 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.49 -52.13 60.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 123.363 0.415 . . . . 0.0 110.267 175.548 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -52.6 -50.35 63.22 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 119.333 -0.365 . . . . 0.0 111.092 177.053 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -56.82 -59.25 5.31 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.965 0.412 . . . . 0.0 110.794 -179.208 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 73.1 mtm -52.1 -33.23 38.68 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 125.619 1.568 . . . . 0.0 112.492 176.676 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.0 t -76.05 0.68 17.83 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.104 177.834 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -133.3 39.46 3.25 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 -178.938 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.427 -1.607 0 C-N-CA 125.642 1.577 . . . . 0.0 107.733 -171.67 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.463 HMA3 HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 107.034 -1.469 . . . . 0.0 107.034 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.49 151.63 36.69 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.213 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -34.39 -37.78 0.09 OUTLIER Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.848 2.166 . . . . 0.0 116.714 178.373 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.41 73.59 Favored 'General case' 0 CA--C 1.53 0.212 0 CA-C-N 119.142 1.471 . . . . 0.0 111.314 178.994 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.64 -49.95 69.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 178.768 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.0 mp -54.53 -44.72 73.06 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 125.253 1.421 . . . . 0.0 110.748 -179.55 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 10' ' ' CYS . 36.3 t80 -51.61 -35.18 40.66 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -175.198 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -47.35 -49.88 23.4 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 118.203 0.456 . . . . 0.0 111.277 -178.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.22 -17.76 12.87 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.675 1.59 . . . . 0.0 114.623 -178.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' SG ' ' HA ' ' A' ' 7' ' ' TYR . 2.1 m -91.87 -23.54 19.62 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 125.245 1.418 . . . . 0.0 111.456 -174.728 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.9 mt -56.63 139.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 175.146 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 107.98 -44.18 1.54 Allowed Glycine 0 CA--C 1.522 0.527 0 N-CA-C 108.097 -2.001 . . . . 0.0 108.097 -174.215 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.82 -37.31 10.8 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-N 118.761 1.281 . . . . 0.0 108.874 176.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -110.11 -24.63 10.63 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -178.465 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.2 162.33 37.57 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 -179.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.22 -4.7 14.95 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -124.75 19.59 8.59 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.548 1.939 . . . . 0.0 109.725 178.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.09 19.29 0.12 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 128.223 2.821 . . . . 0.0 115.77 -178.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.8 p -97.33 -23.02 16.32 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -168.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -70.72 132.59 45.6 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 117.135 -1.826 . . . . 0.0 109.479 -179.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.62 103.69 2.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 178.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.82 175.35 0.38 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.241 0.616 . . . . 0.0 110.765 177.27 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 93.4 mmm -30.84 128.79 0.13 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.421 1.888 . . . . 0.0 113.739 -176.548 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.41 55.32 31.32 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 123.669 0.652 . . . . 0.0 112.086 178.872 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.1 m 42.61 54.92 4.38 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.393 1.477 . . . . 0.0 112.801 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.37 141.57 57.52 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.986 -178.863 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.04 122.22 40.66 Favored Pre-proline 0 N--CA 1.44 -0.938 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 172.151 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -60.96 142.66 98.22 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.163 1.242 . . . . 0.0 108.999 -176.38 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -66.72 -52.6 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -176.619 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -21.09 86.97 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 128.978 2.911 . . . . 0.0 111.496 -177.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.99 47.68 3.35 Favored Glycine 0 CA--C 1.532 1.097 0 C-N-CA 125.061 1.315 . . . . 0.0 115.701 -178.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.275 5.7 pt20 -58.95 -30.59 68.01 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.477 1.639 . . . . 0.0 110.512 176.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.46 134.33 1.63 Allowed Glycine 0 C--O 1.219 -0.817 0 C-N-CA 127.383 2.42 . . . . 0.0 108.387 171.087 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.91 -34.33 74.52 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.657 2.728 . . . . 0.0 110.565 -179.797 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.76 -54.96 27.09 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.712 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -47.67 -60.71 2.36 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.754 1.222 . . . . 0.0 109.501 177.305 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD23 HMA3 ' A' ' 80' ' ' HEC . 56.0 mt -53.61 -53.06 57.21 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 126.702 2.001 . . . . 0.0 110.445 -179.362 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -56.08 -54.48 44.44 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 118.332 0.514 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -59.25 -51.13 71.31 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.439 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -44.11 82.7 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 118.642 0.656 . . . . 0.0 111.108 -178.668 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -62.69 -40.13 96.14 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.817 0.735 . . . . 0.0 110.238 179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -58.59 -55.77 30.82 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 174.86 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.0 -48.43 38.49 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 124.354 0.978 . . . . 0.0 111.448 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -59.41 -62.17 2.08 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.72 0.808 . . . . 0.0 109.814 178.197 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.08 68.25 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 118.796 0.726 . . . . 0.0 112.06 -178.027 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.54 -28.98 69.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.27 1.428 . . . . 0.0 111.439 178.302 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.08 30.74 16.28 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.656 -0.524 . . . . 0.0 111.833 -179.883 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.3 p -108.86 -70.46 0.81 Allowed 'General case' 0 C--N 1.338 0.1 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 177.362 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -62.9 121.51 13.68 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 177.828 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.06 -176.66 47.19 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.51 165.08 29.03 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 106.77 -2.532 . . . . 0.0 106.77 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -6.3 -91.46 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.561 2.344 . . . . 0.0 115.489 -179.708 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 30.0 ptt-85 -63.46 -38.82 92.6 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.23 -0.919 . . . . 0.0 111.998 -178.772 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -60.79 -17.97 52.48 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 124.119 0.968 . . . . 0.0 110.767 -177.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -50.98 -32.97 22.74 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.797 -0.564 . . . . 0.0 110.991 174.143 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 67.2 mtt -66.2 -63.28 1.11 Allowed 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 175.646 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 tpt -41.98 -44.78 3.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 127.806 2.442 . . . . 0.0 110.981 178.151 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 81.7 m -42.21 -46.0 4.29 Favored 'General case' 0 C--O 1.231 0.098 0 C-N-CA 125.162 1.385 . . . . 0.0 110.938 177.74 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -115.32 19.8 15.29 Favored 'General case' 0 CA--C 1.517 -0.304 0 O-C-N 121.677 -0.639 . . . . 0.0 112.226 179.394 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.56 -39.0 93.28 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 105.643 -1.984 . . . . 0.0 105.643 164.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.5 m -91.49 24.43 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 126.447 1.899 . . . . 0.0 111.928 176.214 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -10.82 81.82 0.0 OUTLIER 'General case' 0 C--N 1.346 0.419 0 C-N-CA 129.865 3.266 . . . . 0.0 114.472 175.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 42.7 42.78 3.05 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 112.325 -2.216 . . . . 0.0 112.683 176.791 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.33 141.12 6.86 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.636 1.175 . . . . 0.0 109.574 174.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.7 t -78.49 162.55 26.27 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.163 0.585 . . . . 0.0 111.061 -175.243 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.21 -49.22 6.62 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 -174.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -57.45 -49.53 75.96 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.15 0.98 . . . . 0.0 110.163 179.15 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -59.35 -48.06 83.06 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.782 1.233 . . . . 0.0 109.225 179.527 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.1 mt -58.19 -57.97 10.5 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.385 0.674 . . . . 0.0 110.183 -177.816 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -54.98 -50.17 69.61 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.354 -179.606 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.16 -33.19 74.93 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-O 117.992 -1.004 . . . . 0.0 112.571 -179.552 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 mt -63.8 -48.87 75.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 120.322 1.419 . . . . 0.0 107.458 178.047 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -55.61 28.9 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 117.645 0.202 . . . . 0.0 110.687 177.364 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -49.78 -51.7 37.48 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.112 0.565 . . . . 0.0 110.804 178.336 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -58.74 -50.95 72.01 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.287 0.635 . . . . 0.0 110.791 179.879 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtm -62.05 -19.67 63.15 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.844 0.858 . . . . 0.0 112.294 -179.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 m -89.27 7.67 34.36 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.745 1.218 . . . . 0.0 112.179 173.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -140.67 48.03 1.74 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 104.797 -2.297 . . . . 0.0 104.797 177.576 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.6 tp . . . . . 0 N--CA 1.433 -1.285 0 N-CA-C 104.803 -2.295 . . . . 0.0 104.803 -172.086 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.481 ' HHA' ' CBD' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 119.171 -0.442 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t0 49.45 60.04 4.06 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.803 2.041 . . . . 0.0 114.751 174.581 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.408 ' H ' HD12 ' A' ' 6' ' ' LEU . . . 71.67 -68.58 0.99 Allowed Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.261 0.934 . . . . 0.0 114.548 173.474 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.66 -61.08 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 125.276 1.43 . . . . 0.0 111.399 -174.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -83.04 48.66 1.4 Allowed 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.038 0.535 . . . . 0.0 110.192 -178.405 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.408 HD12 ' H ' ' A' ' 3' ' ' GLY . 80.2 mt -147.54 -58.02 0.25 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 128.544 2.738 . . . . 0.0 105.746 175.218 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -45.26 -40.67 7.74 Favored 'General case' 0 C--N 1.345 0.39 0 C-N-CA 125.316 1.447 . . . . 0.0 112.651 -178.355 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -43.44 -35.38 1.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.12 0.968 . . . . 0.0 112.603 177.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.24 -46.69 48.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.63 0.772 . . . . 0.0 110.295 178.649 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -59.71 -35.21 74.05 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 125.962 1.705 . . . . 0.0 110.025 -176.116 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -46.46 -34.13 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.566 0.746 . . . . 0.0 110.459 175.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.15 -36.66 7.36 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 123.502 0.572 . . . . 0.0 112.734 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -109.4 -38.08 5.57 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.924 0.89 . . . . 0.0 110.972 179.419 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.539 ' CE1' HG21 ' A' ' 29' ' ' VAL . 61.1 m-70 -81.9 -33.36 30.48 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 115.046 1.498 . . . . 0.0 115.046 -173.54 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.43 170.75 47.23 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.053 -1.219 . . . . 0.0 110.053 -176.626 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -47.11 -72.15 0.06 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.425 0.69 . . . . 0.0 111.359 -177.144 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -86.62 36.02 0.69 Allowed 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 124.04 0.936 . . . . 0.0 112.067 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 44.25 36.75 4.28 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 126.665 2.079 . . . . 0.0 114.539 179.112 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.7 m -113.49 -6.53 13.45 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -174.199 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.2 pttt -79.22 157.5 27.81 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 121.061 1.755 . . . . 0.0 110.52 -178.19 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.64 122.86 18.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.13 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.3 -129.38 0.09 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 177.444 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 34.7 mmt -72.62 73.05 1.05 Allowed 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.586 -0.696 . . . . 0.0 110.0 177.132 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.93 -151.97 28.03 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 -179.462 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 64.85 0.16 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.799 1.64 . . . . 0.0 112.505 -178.101 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.2 137.12 36.62 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.272 1.029 . . . . 0.0 109.17 178.252 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -56.84 124.11 62.44 Favored Pre-proline 0 C--O 1.233 0.228 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 174.062 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -63.46 143.35 88.01 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 N-CA-C 106.947 -1.982 . . . . 0.0 106.947 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 14' ' ' HIS . 3.3 t -103.3 33.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 124.966 1.306 . . . . 0.0 110.411 -171.565 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.32 57.28 1.87 Allowed 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 124.967 1.307 . . . . 0.0 108.831 -179.977 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.2 74.46 0.85 Allowed Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.906 1.241 . . . . 0.0 113.203 -178.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -58.72 -53.48 57.85 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 173.366 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 163.5 135.35 1.8 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 127.522 2.487 . . . . 0.0 108.349 172.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.9 -45.83 15.57 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 120.37 2.085 . . . . 0.0 113.494 -176.564 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -60.5 -53.94 51.44 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.251 0.62 . . . . 0.0 109.839 179.645 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 -52.35 -58.64 6.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 125.419 1.488 . . . . 0.0 108.386 179.64 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.1 mt -49.48 -64.31 0.85 Allowed 'General case' 0 N--CA 1.426 -1.655 0 C-N-CA 127.017 2.127 . . . . 0.0 109.702 179.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -40.82 -58.08 1.77 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.705 1.139 . . . . 0.0 111.408 179.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -53.16 -49.82 65.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 113.564 -1.653 . . . . 0.0 110.675 179.187 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -60.38 -56.67 18.65 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.914 179.017 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -41.83 75.45 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 120.564 1.529 . . . . 0.0 110.946 178.314 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -61.46 -52.34 64.93 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.56 -43.91 45.99 Favored Glycine 0 CA--C 1.524 0.625 0 C-N-CA 125.954 1.74 . . . . 0.0 111.795 178.238 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.76 -60.41 2.92 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.605 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.04 -46.21 64.96 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.044 0.384 . . . . 0.0 111.972 -177.398 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -77.52 7.32 5.65 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 179.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.24 30.99 79.2 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.237 0.922 . . . . 0.0 114.69 175.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.4 m -103.02 -54.69 2.57 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 118.175 0.988 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -80.16 68.14 6.21 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.138 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.97 -172.45 41.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 157.34 -51.54 0.42 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.502 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -133.5 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.391 1.077 . . . . 0.0 108.67 178.698 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -50.03 -31.99 14.3 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 119.169 0.895 . . . . 0.0 111.0 176.164 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -52.95 -26.24 14.51 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.182 1.793 . . . . 0.0 112.663 178.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.17 -34.62 63.99 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 122.822 0.449 . . . . 0.0 110.428 174.373 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ttt -67.32 -49.15 65.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 176.694 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.7 mmm -50.93 -46.29 60.8 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.869 1.667 . . . . 0.0 109.97 178.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 15.6 m -47.33 -35.49 8.14 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.092 0.557 . . . . 0.0 111.512 175.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 62' ' ' LYS 0.354 0.7 OUTLIER -114.32 23.31 12.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 175.988 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.71 -54.93 3.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 163.453 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.3 p -86.95 40.12 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.878 1.271 . . . . 0.0 108.588 174.803 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' HA ' ' HA ' ' A' ' 59' ' ' ASN . 44.6 tttp -17.37 -69.17 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 130.015 3.326 . . . . 0.0 117.262 -170.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.35 34.73 2.07 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.699 0.625 . . . . 0.0 109.922 -179.022 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.71 126.15 16.96 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 179.966 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 p -92.47 167.59 11.86 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.68 0.792 . . . . 0.0 109.409 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.6 -53.96 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 124.691 1.196 . . . . 0.0 114.185 -176.185 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -52.73 -54.51 32.71 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.436 0.636 . . . . 0.0 109.955 178.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.44 -51.13 71.15 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.555 1.142 . . . . 0.0 109.652 -178.079 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -57.93 -56.7 18.53 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.165 1.386 . . . . 0.0 110.877 -177.765 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.6 -44.09 96.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.868 0.467 . . . . 0.0 109.891 -178.4 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.53 -33.93 73.51 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.227 -179.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.4 mt -66.87 -50.66 61.79 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 177.539 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.23 -51.31 59.04 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 123.492 0.495 . . . . 0.0 110.041 175.546 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.02 -51.24 68.5 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.642 0.377 . . . . 0.0 110.657 178.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -53.43 -60.73 2.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.09 0.556 . . . . 0.0 110.188 -179.635 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 24.2 mtm -59.27 -31.96 69.58 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.699 0.799 . . . . 0.0 112.821 179.95 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.5 t -74.4 3.25 7.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 118.009 -0.996 . . . . 0.0 112.332 175.067 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -140.74 50.19 1.67 Allowed 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 -179.671 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp . . . . . 0 C--O 1.253 1.265 0 N-CA-C 105.338 -2.097 . . . . 0.0 105.338 -172.253 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.8 0 CA-C-O 116.83 -1.557 . . . . 0.0 108.069 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -148.89 151.29 34.42 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 120.365 1.439 . . . . 0.0 111.486 179.537 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.444 ' H ' ' HB3' ' A' ' 71' ' ' ALA . . . -20.18 -55.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 C-N-CA 128.943 3.163 . . . . 0.0 116.558 173.916 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.85 -42.26 26.04 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.14 0.576 . . . . 0.0 111.97 -177.83 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.47 89.86 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.188 0.595 . . . . 0.0 111.649 -179.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.44 -47.18 64.85 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 124.072 0.949 . . . . 0.0 109.687 -179.249 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -47.06 -37.08 8.91 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -175.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -47.12 -28.25 1.71 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.779 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -88.22 -46.99 8.78 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.605 0.717 . . . . 0.0 110.121 175.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.6 m -55.19 -35.21 64.58 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.932 2.093 . . . . 0.0 111.293 -175.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 28.3 pt -54.45 -22.72 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.957 178.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -48.05 -34.24 11.61 Favored Glycine 0 CA--C 1.534 1.221 0 CA-C-N 118.85 0.75 . . . . 0.0 111.935 174.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 m -111.99 -42.54 3.75 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.72 0.76 . . . . 0.0 110.364 177.423 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -74.58 -22.55 58.92 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 114.935 1.458 . . . . 0.0 114.935 -174.964 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.9 -70.8 2.68 Favored Glycine 0 CA--C 1.523 0.575 0 C-N-CA 124.582 1.087 . . . . 0.0 112.233 175.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.13 -77.99 0.04 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 CA-C-N 117.097 0.448 . . . . 0.0 110.246 -178.336 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -59.97 -40.76 90.18 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 123.159 0.584 . . . . 0.0 111.831 -179.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.68 13.91 15.39 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.89 1.233 . . . . 0.0 111.221 -178.387 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 63.5 m -67.64 -42.91 81.5 Favored 'General case' 0 C--N 1.34 0.157 0 CA-C-N 118.265 1.033 . . . . 0.0 109.733 177.002 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.8 pttp 41.42 -141.41 0.09 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.72 2.008 . . . . 0.0 115.11 176.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 143.62 62.9 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 1 C-N-CA 132.768 4.427 . . . . 0.0 102.37 -175.227 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.21 -127.93 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.483 1.113 . . . . 0.0 111.22 -172.123 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 37.3 mmt -70.24 75.58 0.52 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.046 0.538 . . . . 0.0 110.563 -179.53 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.16 -178.55 37.37 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 125.094 1.331 . . . . 0.0 110.522 -178.756 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.4 p -75.79 65.99 2.0 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.073 0.949 . . . . 0.0 109.037 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.39 149.86 42.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.461 1.104 . . . . 0.0 110.475 -178.992 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -58.25 118.87 30.65 Favored Pre-proline 0 N--CA 1.439 -0.986 0 C-N-CA 125.181 1.392 . . . . 0.0 109.44 177.852 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -53.98 135.19 62.87 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.647 2.231 . . . . 0.0 111.944 178.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.7 t -74.85 -39.23 45.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.81 0.844 . . . . 0.0 111.111 -179.142 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -31.86 94.89 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.122 1.769 . . . . 0.0 112.037 -176.571 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 39.28 56.0 2.39 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 126.428 1.966 . . . . 0.0 115.647 -178.647 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -48.49 -58.43 4.68 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 123.115 1.436 . . . . 0.0 109.732 176.039 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.98 132.86 1.56 Allowed Glycine 0 C--O 1.219 -0.836 0 C-N-CA 127.872 2.653 . . . . 0.0 106.917 174.113 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.76 -41.24 70.21 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 121.133 2.467 . . . . 0.0 112.432 -176.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.07 -53.47 55.08 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.11 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -49.97 -61.11 2.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.056 1.342 . . . . 0.0 108.912 177.55 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD13 ' HB2' ' A' ' 76' ' ' MET . 11.8 mt -49.23 -64.14 0.89 Allowed 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.143 1.777 . . . . 0.0 109.144 179.313 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -40.17 -55.32 2.16 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 119.104 0.866 . . . . 0.0 111.518 178.987 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -59.37 -43.46 92.87 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 178.548 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HD2' ' CE2' ' A' ' 49' ' ' TYR . 71.4 mmtt -64.64 -56.98 10.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.759 0.824 . . . . 0.0 111.258 178.961 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -39.27 75.71 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 119.929 1.24 . . . . 0.0 110.19 177.703 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -60.21 -54.77 41.86 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 176.456 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.05 -50.45 21.76 Favored Glycine 0 CA--C 1.523 0.549 0 C-N-CA 125.65 1.595 . . . . 0.0 110.596 179.34 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -59.47 -64.77 0.82 Allowed 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 123.135 0.574 . . . . 0.0 109.671 177.015 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -48.96 -46.25 43.24 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -176.226 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -75.11 -9.7 58.78 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -178.15 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.93 43.81 7.02 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-N 118.664 0.665 . . . . 0.0 113.346 177.663 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.5 p -120.21 -77.44 0.58 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 118.029 0.914 . . . . 0.0 109.436 175.935 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.417 ' CE2' ' HD2' ' A' ' 40' ' ' LYS . 56.6 t80 -59.12 123.26 16.03 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.25 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 174.21 -167.78 40.31 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.436 -1.066 . . . . 0.0 110.436 -179.487 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 136.5 109.09 0.94 Allowed Glycine 0 CA--C 1.538 1.5 0 C-N-CA 125.215 1.388 . . . . 0.0 111.212 -175.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 49.2 -103.66 0.12 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.683 1.993 . . . . 0.0 112.181 -179.781 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -58.15 -39.22 78.24 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.175 -0.953 . . . . 0.0 109.658 177.462 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -72.63 -31.36 65.08 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.884 1.274 . . . . 0.0 108.828 176.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.26 -40.21 93.66 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.455 -0.778 . . . . 0.0 110.219 177.706 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.7 tpt -60.26 -53.79 53.43 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 174.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.54 -43.6 17.17 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 126.881 2.073 . . . . 0.0 110.781 179.293 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.7 m -38.82 -45.74 1.19 Allowed 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 125.188 1.395 . . . . 0.0 111.422 177.728 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -114.5 13.16 17.54 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 179.194 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.91 -39.18 87.33 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 164.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.8 p -92.93 28.9 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 125.631 1.572 . . . . 0.0 111.207 175.174 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -14.16 83.64 0.0 OUTLIER 'General case' 0 C--N 1.344 0.346 0 C-N-CA 130.418 3.487 . . . . 0.0 114.361 175.084 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? 48.99 38.49 12.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 112.535 -2.121 . . . . 0.0 112.619 174.029 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.27 132.53 16.2 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.084 0.554 . . . . 0.0 109.906 174.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.68 171.31 14.13 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 123.979 0.911 . . . . 0.0 111.592 -175.348 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -52.0 -50.69 60.85 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.278 -0.888 . . . . 0.0 113.019 -178.206 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -51.97 -51.99 53.44 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 124.142 0.977 . . . . 0.0 109.643 178.118 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -53.83 -60.4 3.37 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 113.697 -1.592 . . . . 0.0 108.746 179.881 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.7 mt -52.9 -53.34 50.61 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.152 1.381 . . . . 0.0 112.318 -176.611 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -58.66 -51.54 69.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.138 0.494 . . . . 0.0 109.85 -177.505 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.444 ' HB3' ' H ' ' A' ' 3' ' ' GLY . . . -66.82 -32.73 74.2 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.0 -179.381 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.623 HD21 ' CMB' ' A' ' 80' ' ' HEC . 15.6 tp -64.03 -52.46 59.36 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 178.566 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.32 -49.46 69.65 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.255 0.222 . . . . 0.0 110.525 176.57 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -54.2 -47.39 72.15 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.918 -0.128 . . . . 0.0 110.762 177.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -58.61 -50.3 74.33 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.286 0.634 . . . . 0.0 110.379 179.75 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.478 ' HB2' HD13 ' A' ' 37' ' ' LEU . 4.6 mmt -58.59 -33.53 70.08 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 121.95 -0.469 . . . . 0.0 111.203 178.641 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.6 m -78.93 10.18 3.63 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 124.846 1.258 . . . . 0.0 113.15 176.454 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.7 mttp -142.67 45.68 1.6 Allowed 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.287 -1.745 . . . . 0.0 106.287 178.156 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 N--CA 1.435 -1.217 0 C-N-CA 126.455 1.902 . . . . 0.0 106.05 -175.185 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.635 HBB2 ' HHC' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 117.441 -1.266 . . . . 0.0 107.937 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -41.37 139.99 0.95 Allowed 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.032 1.123 . . . . 0.0 114.032 -175.647 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -6.84 -63.66 0.01 OUTLIER Glycine 0 C--N 1.339 0.729 0 C-N-CA 129.803 3.573 . . . . 0.0 116.354 176.621 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.54 -49.2 5.42 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.594 1.157 . . . . 0.0 111.446 -179.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.69 86.82 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.791 0.836 . . . . 0.0 111.515 179.984 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 mp -66.07 -47.85 72.93 Favored 'General case' 0 C--O 1.233 0.204 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.969 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -46.66 -39.7 11.82 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.019 0.928 . . . . 0.0 113.475 -175.868 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -47.25 -36.99 9.77 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 124.721 1.209 . . . . 0.0 111.882 178.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -66.52 -45.72 78.58 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.93 0.871 . . . . 0.0 110.375 178.581 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.3 m -67.29 -35.51 79.62 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 126.172 1.789 . . . . 0.0 110.055 -174.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.0 mt -47.47 -37.8 5.34 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 123.271 0.628 . . . . 0.0 109.599 175.233 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -47.54 -30.82 6.56 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.808 -0.996 . . . . 0.0 113.423 178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -113.88 -43.89 3.22 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 118.759 1.279 . . . . 0.0 110.002 -178.717 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -76.34 -22.17 55.25 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 -176.049 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.32 172.55 49.13 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.182 -1.567 . . . . 0.0 109.182 -173.858 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.64 -71.72 0.08 Allowed 'General case' 0 CA--C 1.529 0.158 0 O-C-N 122.252 -0.557 . . . . 0.0 110.98 -177.715 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -86.91 60.45 6.23 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.953 0.901 . . . . 0.0 109.946 -178.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 4.65 70.69 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 1 C-N-CA 130.705 4.003 . . . . 0.0 115.679 179.129 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.8 p -139.06 -1.2 1.78 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.968 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -67.29 121.24 15.27 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 119.813 1.188 . . . . 0.0 110.546 -179.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.45 66.49 2.49 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.136 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.592 ' CB ' HBC1 ' A' ' 80' ' ' HEC . . . -65.44 -90.67 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 126.288 1.835 . . . . 0.0 111.879 -176.237 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 21.9 mmt -74.2 71.8 1.7 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.526 1.13 . . . . 0.0 108.251 179.148 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.27 -172.57 55.12 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 110.554 -1.019 . . . . 0.0 110.554 -178.026 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 m -71.04 63.02 0.31 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.003 1.321 . . . . 0.0 112.537 -178.629 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.26 134.43 54.72 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.353 0.661 . . . . 0.0 109.833 178.762 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -55.23 125.93 59.76 Favored Pre-proline 0 C--O 1.234 0.246 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 174.135 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -53.18 135.47 59.69 Favored 'Trans proline' 0 N--CA 1.444 -1.441 0 N-CA-C 109.494 -1.002 . . . . 0.0 109.494 176.428 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.2 t -77.86 -41.29 27.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 N-CA-C 107.71 -1.218 . . . . 0.0 107.71 -178.364 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -29.31 93.52 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.941 2.496 . . . . 0.0 111.737 176.806 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 56.41 41.98 88.74 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 117.281 1.673 . . . . 0.0 117.281 176.317 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -54.59 -53.63 52.02 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 120.504 2.152 . . . . 0.0 108.187 172.552 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.12 136.52 2.17 Favored Glycine 0 C--O 1.222 -0.64 0 CA-C-N 112.108 -2.315 . . . . 0.0 109.892 174.419 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.77 -42.8 8.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.761 1.781 . . . . 0.0 113.04 -178.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -63.89 -51.07 66.25 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 123.391 0.676 . . . . 0.0 110.328 179.119 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.1 -58.5 7.41 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.354 1.062 . . . . 0.0 108.621 178.651 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.4 mt -55.12 -48.14 74.04 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 125.078 1.351 . . . . 0.0 110.8 -178.72 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -59.14 -51.64 69.13 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 118.391 0.541 . . . . 0.0 110.636 179.728 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.14 -51.29 69.72 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.684 0.278 . . . . 0.0 111.471 -177.455 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -65.02 -41.26 95.47 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.89 0.876 . . . . 0.0 110.833 -178.742 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.486 ' SD ' HD13 ' A' ' 69' ' ' LEU 0.261 3.3 ppp? -67.79 -42.25 81.94 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.586 -0.696 . . . . 0.0 109.576 179.111 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -57.24 -39.98 76.65 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 170.051 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.43 -62.96 3.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 126.772 2.129 . . . . 0.0 109.358 174.074 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -59.97 -40.36 88.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.801 0.84 . . . . 0.0 110.463 178.74 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.21 -42.29 81.03 Favored 'General case' 0 C--O 1.227 -0.097 0 C-N-CA 123.145 0.578 . . . . 0.0 110.844 178.249 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.43 -45.31 55.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 178.462 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 108.56 -5.76 33.29 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 124.666 1.127 . . . . 0.0 112.175 179.842 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.8 p -70.66 -56.24 6.91 Favored 'General case' 0 N--CA 1.455 -0.198 0 CA-C-N 118.086 0.943 . . . . 0.0 109.468 178.864 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -61.14 107.93 0.82 Allowed 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.559 179.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.64 -77.84 1.23 Allowed Glycine 0 CA--C 1.523 0.58 0 CA-C-O 122.04 0.8 . . . . 0.0 111.842 178.076 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.33 -64.73 0.25 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 126.84 2.162 . . . . 0.0 115.295 175.823 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -50.55 -93.14 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 127.505 2.322 . . . . 0.0 114.214 -172.568 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.6 ptt85 -58.4 -24.3 59.65 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 120.908 -1.12 . . . . 0.0 112.159 -178.455 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -64.49 -24.22 67.54 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 127.378 2.271 . . . . 0.0 110.262 177.492 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -10.57 -65.16 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 128.612 2.765 . . . . 0.0 116.483 -178.859 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 15.8 ptp -49.05 -53.24 21.14 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.866 0.841 . . . . 0.0 110.91 179.458 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 30.0 ttp -64.14 -52.48 58.88 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 125.496 1.518 . . . . 0.0 108.131 177.351 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.3 m -45.14 -57.28 4.02 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.817 0.847 . . . . 0.0 110.619 -178.836 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.5 -46.54 89.76 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.425 0.69 . . . . 0.0 110.335 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.49 -57.23 13.21 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 117.985 0.357 . . . . 0.0 110.721 -178.447 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 p -65.53 -33.83 66.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 O-C-N 121.879 -0.513 . . . . 0.0 111.533 -179.138 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -57.06 -25.7 59.1 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.316 0.962 . . . . 0.0 111.185 178.582 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -78.43 -11.48 59.95 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 178.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.47 171.55 9.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.433 1.093 . . . . 0.0 110.291 179.708 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.0 p -120.98 167.65 12.35 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.254 1.022 . . . . 0.0 110.81 -178.122 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -45.49 -47.66 14.05 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -176.033 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -57.16 -50.23 73.47 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 123.581 0.752 . . . . 0.0 110.777 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -57.87 -47.69 82.0 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 177.115 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.486 HD13 ' SD ' ' A' ' 41' ' ' MET . 0.8 OUTLIER -55.71 -58.65 6.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.275 0.63 . . . . 0.0 111.11 -177.454 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -52.64 -46.73 67.23 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.504 0.721 . . . . 0.0 109.203 -179.795 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.83 -35.02 79.51 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 179.701 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.56 -49.27 64.0 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 105.763 -1.939 . . . . 0.0 105.763 -178.741 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.31 -50.06 65.73 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.802 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -53.11 -52.14 59.63 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 117.945 0.339 . . . . 0.0 110.698 177.78 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -54.01 -59.99 3.92 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 121.034 0.445 . . . . 0.0 110.204 178.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 72.8 mtm -56.38 -25.96 51.41 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.64 1.176 . . . . 0.0 113.292 179.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.6 t -76.41 -6.12 50.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.263 176.702 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -133.76 52.08 2.09 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 -178.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.1 tp . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 -171.46 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.592 HBC1 ' CB ' ' A' ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.737 0 CA-C-O 118.285 -0.864 . . . . 0.0 109.254 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -54.9 152.58 7.21 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.898 0.879 . . . . 0.0 110.284 178.883 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.91 -65.47 3.23 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 -178.429 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.29 -55.79 29.42 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.271 1.028 . . . . 0.0 112.441 -177.248 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.73 79.06 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 120.934 0.397 . . . . 0.0 110.213 -179.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -55.33 -50.89 68.46 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.492 1.117 . . . . 0.0 110.258 -179.133 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -47.53 -36.46 10.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.601 0.761 . . . . 0.0 112.931 -178.963 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -57.61 -15.4 7.37 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -178.754 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -87.61 -31.12 19.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 119.502 1.046 . . . . 0.0 110.986 174.536 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.3 m -71.84 -28.67 63.72 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.49 1.516 . . . . 0.0 111.955 -173.056 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.3 pt -47.9 -31.94 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 123.865 0.866 . . . . 0.0 112.463 179.533 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -46.11 -34.24 5.86 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 124.099 0.857 . . . . 0.0 112.297 177.744 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 59.9 m -114.23 -40.33 3.7 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.487 0.715 . . . . 0.0 110.24 177.074 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.402 ' CE1' HG21 ' A' ' 29' ' ' VAL . 90.2 m-70 -78.77 -5.11 52.43 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -174.856 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.19 -152.12 47.95 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 178.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.16 -0.17 39.08 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -179.947 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.06 -85.61 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -178.185 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.61 41.5 0.06 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.2 p -102.99 17.34 24.3 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.822 1.649 . . . . 0.0 110.179 177.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 175.75 0.74 Allowed 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 116.075 1.879 . . . . 0.0 116.075 -175.875 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.99 73.44 1.42 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 170.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.55 -142.76 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.782 1.233 . . . . 0.0 111.966 -172.707 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 39.8 mtt -67.32 83.3 0.15 Allowed 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.583 -0.698 . . . . 0.0 110.671 -179.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.16 172.01 48.16 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.506 1.05 . . . . 0.0 110.774 179.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.1 m -50.41 109.42 0.3 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.602 1.161 . . . . 0.0 109.708 178.734 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.37 137.21 51.79 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.206 1.002 . . . . 0.0 109.638 -175.677 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.52 111.16 2.63 Favored Pre-proline 0 N--CA 1.436 -1.136 0 C-N-CA 125.814 1.646 . . . . 0.0 108.092 175.387 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -61.55 103.73 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 121.661 1.574 . . . . 0.0 108.913 -179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.402 HG21 ' CE1' ' A' ' 14' ' ' HIS . 2.3 t -37.02 -44.6 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.129 0 C-N-CA 126.178 1.791 . . . . 0.0 113.24 -177.333 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.03 106.19 0.21 Allowed 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 -179.793 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 125.19 -38.14 2.38 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.556 -1.136 . . . . 0.0 114.065 178.775 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . 0.261 8.0 pm0 -75.78 156.41 34.57 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.857 1.828 . . . . 0.0 109.377 178.885 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.22 159.17 15.69 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 115.33 0.892 . . . . 0.0 115.33 -168.529 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.57 2.22 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 127.352 2.261 . . . . 0.0 112.781 -179.725 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -56.62 -43.46 80.24 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 125.489 1.515 . . . . 0.0 111.238 -178.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -79.74 -52.29 8.13 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.826 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD22 HMA3 ' A' ' 80' ' ' HEC . 51.7 mt -50.61 -62.35 1.65 Allowed 'General case' 0 N--CA 1.431 -1.39 0 C-N-CA 125.381 1.472 . . . . 0.0 110.576 -178.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -44.13 -53.59 6.31 Favored 'General case' 0 C--N 1.338 0.072 0 C-N-CA 124.477 1.111 . . . . 0.0 112.374 -179.555 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -57.27 -44.8 84.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 110.236 -0.283 . . . . 0.0 110.236 179.351 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.79 -50.53 62.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 118.248 -0.882 . . . . 0.0 112.948 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.528 ' HE3' HMA1 ' A' ' 80' ' ' HEC . 0.0 OUTLIER -59.46 -37.58 78.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 120.696 1.589 . . . . 0.0 109.95 175.261 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -61.29 -46.94 88.24 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 175.184 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.96 -49.68 65.57 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.945 1.259 . . . . 0.0 111.506 178.217 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -58.11 -57.96 10.54 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 124.116 0.966 . . . . 0.0 108.399 177.025 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.2 -43.98 67.6 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.901 -0.499 . . . . 0.0 111.787 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.3 -34.4 78.04 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.427 1.091 . . . . 0.0 110.661 177.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.4 24.82 20.55 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 124.116 0.865 . . . . 0.0 111.5 179.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 p -98.1 -67.92 0.82 Allowed 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 176.997 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -72.59 74.18 1.06 Allowed 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 176.19 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.57 -175.95 27.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 -177.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.69 173.09 39.64 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 108.931 -1.668 . . . . 0.0 108.931 -179.461 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.77 -51.02 23.87 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.812 0.845 . . . . 0.0 112.373 -178.921 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -60.47 -22.84 63.95 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.677 0.791 . . . . 0.0 112.651 179.418 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -95.37 -21.97 18.03 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.489 1.116 . . . . 0.0 111.486 -177.878 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -30.76 -56.47 0.21 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.733 1.753 . . . . 0.0 115.733 -175.584 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.9 mmm -55.04 -55.36 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.588 0.708 . . . . 0.0 110.497 -179.24 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.8 ttp -57.86 -44.53 86.66 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.538 0.735 . . . . 0.0 109.635 177.793 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.5 m -52.15 -52.34 52.42 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.151 0.98 . . . . 0.0 108.721 -179.346 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -63.52 -39.94 95.73 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.221 -0.299 . . . . 0.0 110.622 178.062 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.82 -52.53 65.34 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.096 0.407 . . . . 0.0 110.311 -179.428 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 26.1 m -71.87 -27.58 28.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.668 179.683 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -33.76 53.45 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.723 1.147 . . . . 0.0 110.383 175.94 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -68.39 -20.83 64.71 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 179.579 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.2 122.63 34.0 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.196 1.398 . . . . 0.0 109.948 -178.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -170.12 2.64 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.347 0.659 . . . . 0.0 109.808 177.474 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -54.24 -53.65 50.72 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -175.633 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.43 -47.8 75.43 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-O 122.238 1.018 . . . . 0.0 110.596 -177.637 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -56.64 -55.16 37.53 Favored 'General case' 0 N--CA 1.424 -1.729 0 C-N-CA 125.827 1.651 . . . . 0.0 109.453 178.498 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.71 -47.73 76.34 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.419 0.688 . . . . 0.0 111.063 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -56.01 -49.52 73.44 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 177.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.46 78.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 111.921 0.341 . . . . 0.0 111.921 179.725 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.0 tp -63.64 -50.56 68.83 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -179.807 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.66 -51.45 68.71 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.221 175.095 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -53.82 -51.7 62.7 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.83 0.452 . . . . 0.0 111.117 -179.335 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -52.91 -61.78 2.07 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.31 0.576 . . . . 0.0 110.57 -179.445 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.1 mtm -62.72 -30.27 71.29 Favored 'General case' 0 C--O 1.223 -0.332 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -177.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -61.2 -6.87 2.31 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.351 0.978 . . . . 0.0 113.218 177.278 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -82.48 -11.65 58.34 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.56 1.073 . . . . 0.0 110.63 177.227 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 N--CA 1.426 -1.656 0 C-N-CA 125.963 1.705 . . . . 0.0 109.983 -178.101 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.528 HMA1 ' HE3' ' A' ' 41' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.19 45.35 0.16 Allowed 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -174.349 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 72.79 -48.43 1.3 Allowed Glycine 0 CA--C 1.533 1.164 0 CA-C-N 119.437 1.017 . . . . 0.0 115.062 176.518 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -43.45 -45.82 6.5 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.49 1.516 . . . . 0.0 113.39 -176.469 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.16 -52.36 64.64 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.92 0.391 . . . . 0.0 110.681 178.62 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.5 mp -63.62 -39.81 95.31 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.555 1.542 . . . . 0.0 110.122 -179.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -52.93 -22.78 6.0 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.333 1.053 . . . . 0.0 113.16 -179.317 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -56.23 -32.67 64.66 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.422 -0.799 . . . . 0.0 110.745 175.052 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -95.81 37.62 1.21 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.866 0.866 . . . . 0.0 110.191 176.728 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -142.33 -46.06 0.33 Allowed 'General case' 0 C--O 1.24 0.592 0 C-N-CA 126.036 1.735 . . . . 0.0 110.042 -174.724 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.2 pt -52.33 139.36 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 171.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.49 -44.66 1.46 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 108.206 -1.957 . . . . 0.0 108.206 -173.199 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 m -96.7 -45.22 6.77 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.678 1.239 . . . . 0.0 107.873 175.815 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -93.31 -32.44 14.3 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.169 0.587 . . . . 0.0 111.823 -179.708 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.41 172.77 45.82 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 123.706 0.669 . . . . 0.0 111.994 178.137 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -43.92 -47.92 8.46 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.407 1.483 . . . . 0.0 112.185 -178.091 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -81.73 -98.98 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 104.53 -2.396 . . . . 0.0 104.53 174.739 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.11 56.44 0.05 OUTLIER Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 176.334 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.7 m -152.88 1.9 0.3 Allowed 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -173.053 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -73.47 167.76 20.63 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 120.869 1.668 . . . . 0.0 110.444 -179.977 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.56 124.35 22.56 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.275 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.25 -133.35 0.08 Allowed 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 -179.283 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.428 ' HG2' ' HHD' ' A' ' 80' ' ' HEC . 1.4 ptm -77.0 63.3 2.28 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 176.811 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.92 -169.89 24.63 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 108.67 -1.772 . . . . 0.0 108.67 -173.583 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.9 m -53.95 134.47 43.22 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.972 0.909 . . . . 0.0 110.861 179.382 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.88 141.3 17.68 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.029 0.532 . . . . 0.0 110.114 -179.073 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.78 136.27 86.85 Favored Pre-proline 0 N--CA 1.437 -1.083 0 C-N-CA 125.365 1.466 . . . . 0.0 107.864 172.497 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.27 138.08 35.4 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 N-CA-C 108.185 -1.506 . . . . 0.0 108.185 177.345 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -36.25 16.44 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 C-N-CA 122.44 0.296 . . . . 0.0 110.532 -179.593 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -37.69 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 126.29 1.836 . . . . 0.0 112.277 -177.235 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.02 42.14 99.71 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 117.253 -1.859 . . . . 0.0 115.644 177.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.11 -64.99 0.72 Allowed 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 121.45 2.625 . . . . 0.0 108.008 174.633 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.04 129.79 1.13 Allowed Glycine 0 CA--C 1.523 0.577 0 CA-C-N 112.888 -1.96 . . . . 0.0 108.971 173.646 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.2 -41.53 3.83 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 119.773 1.787 . . . . 0.0 112.886 -178.532 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.37 -55.23 37.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.06 0.544 . . . . 0.0 110.451 176.698 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -56.96 -58.66 7.2 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 125.077 1.351 . . . . 0.0 108.281 -179.376 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 HMA3 ' A' ' 80' ' ' HEC . 38.0 mt -52.96 -46.33 68.14 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 125.099 1.36 . . . . 0.0 111.07 -178.764 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 30.8 t80 -60.94 -51.24 70.12 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 118.71 0.687 . . . . 0.0 110.952 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -60.22 -48.86 79.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.939 -179.347 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.1 -51.45 69.06 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 124.094 0.958 . . . . 0.0 111.066 179.466 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -63.97 -42.19 97.32 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.476 0.71 . . . . 0.0 110.579 -177.487 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.55 -42.28 98.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.669 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.47 -48.46 75.99 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 177.369 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -58.4 -53.04 62.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 123.559 0.744 . . . . 0.0 109.063 176.591 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.45 -46.58 66.5 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.397 0.679 . . . . 0.0 111.848 178.734 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.72 -39.14 90.85 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.097 0.559 . . . . 0.0 110.194 178.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 105.01 -8.62 45.86 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 124.759 1.171 . . . . 0.0 111.366 -179.309 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.7 p -62.62 -63.69 1.14 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.568 1.147 . . . . 0.0 108.303 179.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -78.14 66.28 3.71 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 175.202 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.85 -118.06 0.44 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -177.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 75.43 -52.2 2.64 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.26 0.933 . . . . 0.0 114.478 176.505 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -75.41 -145.04 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.168 0.987 . . . . 0.0 110.657 -178.22 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -41.98 -39.95 2.05 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.423 1.489 . . . . 0.0 111.21 177.53 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -41.3 -33.14 0.35 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 128.661 2.785 . . . . 0.0 113.216 176.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -34.16 -47.33 0.28 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.889 1.676 . . . . 0.0 114.554 -179.046 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 37.9 mmt -58.37 -54.31 48.41 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.627 0.727 . . . . 0.0 110.299 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.1 ttp -58.07 -50.73 72.45 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.319 1.048 . . . . 0.0 108.624 178.185 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -45.45 -58.27 3.48 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.036 0.934 . . . . 0.0 109.559 177.394 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -41.08 92.7 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 119.096 -0.478 . . . . 0.0 111.017 -178.947 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.81 -58.69 7.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.387 0.539 . . . . 0.0 110.533 -179.088 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 16.4 m -64.89 -30.51 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.991 -0.443 . . . . 0.0 111.379 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -55.71 -25.31 39.54 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.585 0.629 . . . . 0.0 111.709 178.403 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -70.23 -19.22 63.16 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.536 0.607 . . . . 0.0 111.963 179.853 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.93 39.4 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.488 1.115 . . . . 0.0 111.522 -177.643 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.5 m -78.11 167.92 20.68 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 110.043 178.502 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -49.64 -49.19 48.18 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 121.012 -1.055 . . . . 0.0 112.679 -179.396 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -53.44 -49.66 66.92 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.545 0.738 . . . . 0.0 110.268 178.421 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.99 -51.09 68.19 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 124.59 1.156 . . . . 0.0 110.743 -179.067 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -51.29 -55.36 18.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 124.575 1.15 . . . . 0.0 109.454 178.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -56.01 -49.53 73.4 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 121.372 0.606 . . . . 0.0 109.977 178.409 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.87 -30.72 71.73 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -179.702 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 tp -73.25 -39.36 65.5 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 -178.848 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.68 -51.18 70.9 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 173.285 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -52.9 -51.9 59.58 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 177.503 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -52.09 -57.76 8.59 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.613 0.765 . . . . 0.0 110.344 178.13 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.9 mtm -58.17 -29.21 65.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.64 0.376 . . . . 0.0 111.76 179.67 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -75.83 -3.63 36.19 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 118.495 -0.764 . . . . 0.0 112.577 177.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.1 ttpp -142.0 57.74 1.48 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.415 -2.069 . . . . 0.0 105.415 -178.063 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 N--CA 1.434 -1.273 0 C-N-CA 126.426 1.891 . . . . 0.0 108.059 -172.458 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 80' ' ' HEC . . . . . 0.588 HMB1 ' CBB' ' A' ' 80' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_