data_2bzt_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 2bzt _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 ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.472 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.97 121.68 12.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.008 0.433 . . . . 0.0 110.242 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -100.65 146.1 27.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.522 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -56.95 -46.33 82.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.2 m -62.89 -28.71 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.246 0.546 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.34 57.85 4.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.714 0.769 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -66.45 -27.96 68.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.469 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HA ' HG22 ' A' ' 60' ' ' VAL . 31.3 ttm180 -68.41 -46.57 69.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.564 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.91 -34.71 73.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.245 0.545 . . . . 0.0 109.742 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -72.71 -42.73 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.62 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.63 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -58.16 -44.97 94.59 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -65.34 -38.39 89.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.95 91.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.996 0.426 . . . . 0.0 110.931 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 HD12 ' SD ' ' A' ' 32' ' ' MET . 18.9 mt -67.93 -42.51 80.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.214 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 35.1 t80 -72.03 -30.18 64.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.116 0.484 . . . . 0.0 110.624 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.01 -48.27 71.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.014 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.19 28.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.548 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.625 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 89.8 m-85 -128.8 66.13 74.6 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.778 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.38 -9.28 16.27 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.177 1.918 . . . . 0.0 111.128 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.57 -16.48 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.49 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 19' ' ' TYR . 7.3 mp -97.51 141.72 30.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.125 -175.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.465 ' O ' HG21 ' A' ' 27' ' ' VAL . 12.8 t70 -93.14 118.72 67.85 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.47 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.628 '2HG ' HD21 ' A' ' 62' ' ' LEU . 36.7 Cg_endo -65.99 -7.77 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.184 2.589 . . . . 0.0 113.868 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 '2HB ' ' OD2' ' A' ' 23' ' ' ASP . 39.6 mttp -81.39 -38.16 27.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.362 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 23' ' ' ASP . 96.4 t -83.69 119.3 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.513 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -93.18 175.57 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.95 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.65 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 23.1 m-85 -62.58 -42.02 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.402 . . . . 0.0 110.427 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -55.77 -54.08 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.123 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.18 -44.0 97.99 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.345 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.474 ' HE3' ' HB ' ' A' ' 57' ' ' ILE . 13.6 tmm? -63.46 -43.23 97.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.33 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.587 ' HA ' HG23 ' A' ' 36' ' ' ILE . 30.8 t-80 -62.96 -28.94 70.43 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.994 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.65 -47.35 75.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.147 0.499 . . . . 0.0 109.897 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -76.59 -40.8 48.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.765 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.587 HG23 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -66.01 -33.04 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.755 0.312 . . . . 0.0 110.682 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.09 -17.51 49.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.235 0.54 . . . . 0.0 109.918 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.087 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.4 mt -57.18 129.68 42.84 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.144 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.19 -27.98 64.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.206 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.19 -18.56 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 42' ' ' PHE . 44.1 t80 -64.33 127.8 33.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.89 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -161.67 94.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.419 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -154.87 -90.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.336 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.72 111.91 3.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.213 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.05 -18.28 61.45 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.799 2.333 . . . . 0.0 113.821 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -103.08 -35.65 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.771 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.8 50.56 0.71 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.291 0.567 . . . . 0.0 111.806 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 m -93.37 66.59 3.97 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.538 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 22.6 m-20 -49.16 151.89 1.27 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.722 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.69 -51.55 65.18 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.467 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -65.12 -24.16 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.307 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 23.4 mm -62.45 -53.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.65 -34.67 77.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.504 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 34.3 tt0 -63.57 -44.68 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.29 84.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.151 0.501 . . . . 0.0 110.69 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.474 ' HB ' ' HE3' ' A' ' 32' ' ' MET . 66.4 mt -69.78 -36.46 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.659 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.42 -43.7 76.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.475 ' HA ' HD13 ' A' ' 62' ' ' LEU . 84.1 mt -64.53 -39.08 93.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.577 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.63 HG11 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -72.94 -29.28 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.514 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -64.82 -44.05 91.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 '2HG ' ' A' ' 24' ' ' PRO . 68.7 mt -55.86 -44.1 77.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.325 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.04 -46.14 88.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.027 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -72.96 -44.49 61.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.859 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -174.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.508 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 95.0 mt -62.18 127.11 29.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.785 0.326 . . . . 0.0 110.772 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.511 ' HA ' '2HB ' ' A' ' 44' ' ' ASP . 3.1 mmmp? -96.28 166.96 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -72.97 21.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.2 m -124.58 -13.05 7.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.232 0.539 . . . . 0.0 110.141 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -89.92 48.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -59.38 -34.24 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 60' ' ' VAL . 70.2 ttt-85 -63.57 -53.67 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.707 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.35 -28.99 69.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.703 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.01 -40.28 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.019 0.438 . . . . 0.0 109.884 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.562 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -61.0 -43.57 99.28 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.906 176.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.76 84.02 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' SD ' ' A' ' 32' ' ' MET . 25.9 mt -64.96 -44.79 88.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.768 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.646 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 73.1 t80 -64.29 -40.01 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.41 -40.29 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.65 60.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.82 75.61 75.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.745 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -74.14 -22.24 17.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.211 1.941 . . . . 0.0 112.172 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -84.65 -11.88 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.327 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 22' ' ' LEU . 34.1 mt -90.02 122.38 32.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 111.0 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.74 123.26 63.88 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.69 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.62 '2HG ' HD21 ' A' ' 62' ' ' LEU . 22.3 Cg_endo -60.48 -13.71 26.68 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.648 2.898 . . . . 0.0 113.825 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.15 -38.14 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.702 0.287 . . . . 0.0 110.49 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -91.29 -16.2 27.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 0.0 110.465 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.431 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 85.2 t -76.61 109.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.103 0.477 . . . . 0.0 110.25 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -87.21 168.71 12.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.547 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.63 ' HD1' ' CD2' ' A' ' 29' ' ' PHE . 79.2 m-85 -55.96 -45.41 78.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -177.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -60.61 -38.69 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.93 -49.37 52.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 15' ' ' LEU . 11.0 tmm? -60.79 -43.34 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.14 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -55.3 -33.6 63.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.238 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.52 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.7 tp60 -71.79 -52.12 19.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.104 0.478 . . . . 0.0 110.599 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -70.12 -33.07 71.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.373 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.32 -30.71 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 176.644 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -72.58 -24.84 61.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.332 0.586 . . . . 0.0 109.853 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.39 20.43 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 67.8 mt -90.37 133.07 35.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.74 -26.68 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 109.85 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.35 -18.25 46.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.537 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.656 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 50.3 t80 -78.82 135.14 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 175.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -165.61 83.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.99 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.511 '2HB ' ' HA ' ' A' ' 4' ' ' LYS . 60.2 t0 -135.01 -90.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.59 104.72 3.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.558 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.63 -4.71 15.61 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.281 1.988 . . . . 0.0 112.277 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -90.57 -28.55 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.197 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.96 -101.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.044 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.0 p 46.15 61.69 2.6 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.195 0.598 . . . . 0.0 112.038 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -75.36 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -46.69 66.41 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -57.3 -40.42 77.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.658 0.266 . . . . 0.0 111.26 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.92 -49.35 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.355 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.01 -37.11 85.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.2 tt0 -59.14 -48.15 82.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.659 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.79 74.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.79 -36.5 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.762 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.75 -38.29 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.0 mt -58.41 -48.96 78.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.904 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.562 HG11 ' HA3' ' A' ' 12' ' ' GLY . 14.9 p -68.01 -30.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -67.65 -37.44 82.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 '2HG ' ' A' ' 24' ' ' PRO . 95.3 mt -61.43 -31.08 71.01 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.911 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.64 -43.55 59.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.36 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.91 -50.53 14.76 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.52 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.228 0.537 . . . . 0.0 110.655 176.671 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.56 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 78.0 mt -60.51 110.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 110.051 174.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HA ' '2HD ' ' A' ' 4' ' ' LYS . 1.9 mmmp? -91.07 153.93 19.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.843 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -64.3 -20.65 66.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.954 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -77.88 -24.47 48.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.138 0.494 . . . . 0.0 110.755 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.85 47.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.989 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 p -53.41 -38.41 63.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.179 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -66.62 -48.23 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.58 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.65 -32.68 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.931 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -74.96 -40.81 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.49 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -57.65 -37.79 84.87 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.192 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.46 -43.8 88.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.575 0.226 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.59 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.94 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD12 ' SD ' ' A' ' 32' ' ' MET . 45.5 mt -64.79 -43.42 93.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.699 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.66 ' HE2' ' CE1' ' A' ' 16' ' ' TYR . 50.4 t80 -70.15 -30.81 68.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.993 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.22 -36.56 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.32 -38.69 18.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.38 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.9 75.38 76.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.825 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.78 -36.98 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.664 2.243 . . . . 0.0 112.433 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -90.73 -0.42 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.259 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -89.51 130.98 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.12 112.33 7.99 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.941 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.409 '2HB ' HD21 ' A' ' 62' ' ' LEU . 58.3 Cg_endo -73.67 -19.48 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.659 2.24 . . . . 0.0 113.075 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -67.52 -42.04 83.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.094 0.473 . . . . 0.0 110.53 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -87.43 24.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.208 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.85 117.65 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 0.0 110.151 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -76.64 157.04 32.17 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.661 ' HD1' ' CD2' ' A' ' 29' ' ' PHE . 35.1 m-85 -58.34 -32.24 68.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.424 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -62.02 -46.08 90.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -60.42 -51.87 67.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.225 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.488 ' HE2' HD23 ' A' ' 54' ' ' LEU . 10.1 tmm? -61.68 -44.69 96.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.848 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -54.55 -38.04 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -51.59 38.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.914 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -67.2 -39.93 86.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.925 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.05 -31.68 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.9 t -69.19 -31.87 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.82 21.02 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.469 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.684 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 50.4 mt -77.62 129.15 35.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.33 -12.32 61.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.284 0.564 . . . . 0.0 110.283 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.02 -18.47 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.364 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HA ' '2HB ' ' A' ' 3' ' ' LEU . 47.4 t80 -79.39 136.49 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -165.42 92.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.734 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -149.16 -97.35 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.136 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.19 111.45 4.37 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.68 -24.94 24.88 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.002 2.468 . . . . 0.0 114.36 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -99.39 -7.3 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.68 -53.46 18.51 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.796 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 m -21.43 81.86 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 125.596 1.81 . . . . 0.0 114.494 -168.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.54 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 42.4 m-80 -67.49 150.86 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.996 171.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -55.38 -49.13 73.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.695 0.283 . . . . 0.0 110.666 -177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -67.27 -17.7 64.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.59 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 13.3 mm -70.73 -48.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.448 0.642 . . . . 0.0 109.302 171.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.488 HD23 ' HE2' ' A' ' 32' ' ' MET . 57.1 mt -72.9 -20.26 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.328 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.7 tp10 -52.68 -53.59 45.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.278 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.71 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.06 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mt -72.59 -30.82 35.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.601 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -77.56 -37.17 51.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.509 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.4 mt -62.37 -46.06 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.179 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG11 ' HA3' ' A' ' 12' ' ' GLY . 8.0 p -65.99 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.271 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -62.33 -48.75 78.43 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 '2HB ' ' A' ' 24' ' ' PRO . 95.4 mt -55.9 -53.52 55.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.63 -32.3 70.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.76 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -86.6 -47.01 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -172.622 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.912 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.02 126.28 27.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.674 0.273 . . . . 0.0 110.566 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -86.6 158.83 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -67.43 -21.33 65.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.344 0.592 . . . . 0.0 109.751 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -73.06 -21.06 60.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.284 175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -86.06 48.13 1.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.543 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.9 p -57.4 -30.17 64.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.928 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' NH1' ' HB ' ' A' ' 60' ' ' VAL . 8.9 tpp180 -68.99 -50.59 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -68.69 -30.3 68.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.933 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.47 -43.51 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.479 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -59.67 -40.91 97.1 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.549 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.35 -44.79 88.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 110.511 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.94 83.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.338 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.15 -38.24 78.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.42 -36.24 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.78 -43.59 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.865 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.48 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.614 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.612 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 75.6 m-85 -129.4 76.22 79.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.74 -28.1 5.5 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.466 2.111 . . . . 0.0 113.098 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.91 -1.96 57.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.921 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -89.58 120.35 30.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.806 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 26' ' ' THR . 12.1 t70 -61.09 120.49 54.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.228 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.565 '2HB ' HD21 ' A' ' 62' ' ' LEU . 49.3 Cg_endo -68.49 -15.26 41.48 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.695 2.263 . . . . 0.0 113.178 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -84.12 -24.22 30.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.319 . . . . 0.0 110.93 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 23' ' ' ASP . 8.0 t -88.09 -4.0 58.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.34 0.591 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -90.49 114.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -99.12 175.38 5.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -57.6 -49.29 76.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m -68.8 -40.78 79.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.979 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.69 -47.89 84.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.242 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.465 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 25.8 ttp -63.15 -38.08 89.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.304 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HA ' HG23 ' A' ' 36' ' ' ILE . 56.9 t-80 -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.927 -178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -68.22 -43.71 77.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.152 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -70.87 -44.52 66.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.676 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.13 -29.54 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.14 -176.57 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 t -67.09 -32.45 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.745 0.307 . . . . 0.0 110.868 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.81 16.47 19.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 51.9 mt -76.62 135.3 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.088 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.48 -28.02 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.59 -19.25 60.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.342 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -90.12 126.13 35.68 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.83 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -152.85 81.72 1.22 Allowed 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 45' ' ' ASP . 15.3 t70 -160.1 -151.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.472 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.488 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 18.7 m-20 -93.2 103.49 9.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.115 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.18 -1.39 11.52 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.909 2.406 . . . . 0.0 112.348 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.15 -9.43 56.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.153 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.42 -100.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p 42.83 62.38 1.79 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.783 0.677 . . . . 0.0 112.493 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.42 167.63 2.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.36 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.41 -49.55 72.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.968 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.662 '2HE ' ' HA ' ' A' ' 52' ' ' LYS . 10.7 mmpt? -57.07 -37.48 71.92 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.526 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -64.57 -50.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.477 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.91 -33.7 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.638 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.6 tt0 -59.08 -44.33 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.465 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 66.8 mt -72.28 -32.59 43.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.396 0.617 . . . . 0.0 110.441 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.787 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 88.8 mt -62.88 -46.02 89.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.692 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.479 HG11 ' HA3' ' A' ' 12' ' ' GLY . 4.2 p -64.26 -37.73 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.595 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -61.53 -44.49 96.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.565 HD21 '2HB ' ' A' ' 24' ' ' PRO . 93.0 mt -55.58 -55.68 29.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.091 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.65 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.785 -172.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -75.88 -31.72 59.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -174.828 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.514 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 93.9 mt -60.73 135.73 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HA ' '2HB ' ' A' ' 44' ' ' ASP . 29.2 mmtp -99.32 161.87 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.418 ' CE2' ' HZ ' ' A' ' 42' ' ' PHE . 60.0 m95 -62.26 -19.41 63.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -84.03 -10.64 57.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.928 0.394 . . . . 0.0 111.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.0 51.1 1.98 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.208 0.528 . . . . 0.0 109.734 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 60' ' ' VAL . 26.4 p -57.28 -37.34 72.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.581 -173.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.619 ' HA ' HG22 ' A' ' 60' ' ' VAL . 53.7 ttp180 -62.93 -50.39 71.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.16 -177.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -64.94 -34.38 78.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.59 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.63 -41.14 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -62.44 -43.39 99.11 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.075 -0.584 . . . . 0.0 111.852 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.81 -38.5 88.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.96 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.43 -40.94 89.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.042 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.88 -32.9 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.02 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.12 -45.78 55.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 -31.57 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.803 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.64 ' HE2' ' CE1' ' A' ' 19' ' ' TYR . 78.6 m-85 -128.99 69.08 80.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.72 0.295 . . . . 0.0 111.012 -178.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.69 -11.33 16.95 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.499 2.132 . . . . 0.0 112.394 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.34 -15.03 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.4 mt -91.53 107.3 19.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.96 127.41 93.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.297 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.464 '2HG ' HD21 ' A' ' 62' ' ' LEU . 26.1 Cg_endo -62.63 -9.1 14.82 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.164 2.576 . . . . 0.0 113.976 -173.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -78.92 -24.87 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -88.46 -25.32 22.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.4 t -86.14 117.98 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -92.82 169.04 10.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -55.66 -41.28 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.183 0.302 . . . . 0.0 110.527 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -53.42 -50.3 65.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.76 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.1 -40.84 59.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -58.64 -37.7 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.311 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -62.01 -35.18 77.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.93 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.51 -58.91 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 0.0 110.276 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -64.94 -39.91 94.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.204 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -69.12 -30.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -177.671 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -77.58 -26.3 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.43 3.08 45.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.579 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 70.6 mt -70.09 121.41 17.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.67 -23.6 61.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.53 -19.34 45.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.061 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.656 ' HD1' ' CD2' ' A' ' 42' ' ' PHE . 78.0 t80 -91.55 131.0 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.423 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -163.43 92.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.12 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.687 '2HB ' ' HA ' ' A' ' 4' ' ' LYS . 51.3 t0 -131.15 -82.16 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.247 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -147.54 113.31 4.04 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.985 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 -20.2 29.68 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.453 2.102 . . . . 0.0 113.51 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -90.19 -37.1 14.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.998 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.91 116.9 22.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.188 0.518 . . . . 0.0 110.796 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 56.96 0.87 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.41 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 94.2 m-20 -51.59 153.24 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.887 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -49.8 -48.42 50.7 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -54.53 -42.26 70.67 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.845 0.355 . . . . 0.0 111.536 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 39.1 mm -56.01 -53.62 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.927 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.58 -30.58 63.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.802 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.7 tt0 -61.11 -46.96 88.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.729 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.97 74.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -72.51 -37.5 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.7 mt -62.15 -43.89 97.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.501 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 9' ' ' ARG . 12.8 p -73.0 -27.97 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.686 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -66.1 -44.59 83.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.464 HD21 '2HG ' ' A' ' 24' ' ' PRO . 84.3 mt -59.95 -33.89 72.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.424 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.04 -46.22 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.574 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.15 -45.38 49.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.491 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.32 0.581 . . . . 0.0 110.731 -178.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.683 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.511 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 91.1 mt -61.97 126.02 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.616 '2HD ' ' OD2' ' A' ' 44' ' ' ASP . 16.9 mmtp -93.37 163.32 13.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.321 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -71.01 -28.5 64.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 p -77.52 -18.33 57.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.448 ' OD1' '2HB ' ' A' ' 4' ' ' LYS . 4.7 m-20 -90.54 44.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.835 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.8 p -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.706 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.8 -47.72 82.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 110.063 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.07 -35.26 80.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.096 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 HD12 ' A' ' 36' ' ' ILE . 61.1 mt -71.68 -38.29 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.82 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.598 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -56.5 -47.24 85.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.252 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.593 0.235 . . . . 0.0 110.86 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.47 74.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.081 0.467 . . . . 0.0 110.356 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.86 -38.46 86.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.689 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.59 -37.78 88.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.869 0.366 . . . . 0.0 111.044 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.1 -36.19 72.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.853 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -45.72 43.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.058 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -125.24 72.57 65.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 -32.71 3.83 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.277 1.984 . . . . 0.0 112.689 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -90.63 0.78 57.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.434 HD21 ' N ' ' A' ' 23' ' ' ASP . 4.1 tt -89.25 131.48 35.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' HD21 ' A' ' 22' ' ' LEU . 12.3 t70 -66.77 111.3 6.59 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.53 -6.64 17.2 Favored 'Trans proline' 0 CA--C 1.528 0.203 0 C-N-CA 122.447 2.098 . . . . 0.0 112.78 -175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -84.27 -27.46 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.787 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 t -90.05 -2.33 58.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.001 177.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -83.98 114.56 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -88.54 172.13 9.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.59 -42.56 99.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.821 0.343 . . . . 0.0 110.484 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.1 m -59.03 -48.49 81.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.16 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.62 -46.95 80.43 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.195 0.521 . . . . 0.0 110.121 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.526 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 16.9 ttp -59.44 -38.51 80.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.63 ' HA ' HG21 ' A' ' 36' ' ' ILE . 14.1 t-80 -63.34 -29.19 70.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -69.11 -38.73 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.57 -43.1 16.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG21 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -66.14 -33.0 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -176.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.5 t -76.81 -15.65 59.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 0.0 110.624 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -106.81 9.39 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.569 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 81.3 mt -66.74 144.17 56.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.811 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -75.61 -22.09 57.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.425 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -95.78 -15.64 22.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.178 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 42' ' ' PHE . 56.7 t80 -78.53 136.43 37.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.23 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -167.74 102.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.42 174.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.616 ' OD2' '2HD ' ' A' ' 4' ' ' LYS . 16.1 t70 -151.13 -87.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.855 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -146.87 115.78 4.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -72.98 -27.4 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.528 2.152 . . . . 0.0 111.865 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.76 35.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.829 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.56 -103.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.993 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.404 '2HB ' HD22 ' A' ' 54' ' ' LEU . 12.3 p 44.48 64.6 1.28 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -55.58 150.8 11.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 170.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.525 -172.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -66.1 -34.61 78.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.4 mm -69.15 -47.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.582 0.706 . . . . 0.0 109.456 176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD22 '2HB ' ' A' ' 49' ' ' SER . 65.9 mt -61.66 -31.89 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.497 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.5 tt0 -58.4 -48.27 81.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.813 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.92 78.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.526 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 58.2 mt -71.74 -39.96 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.295 0.569 . . . . 0.0 110.311 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 HD11 ' HG ' ' A' ' 62' ' ' LEU . 1.1 tm? -67.97 -38.07 82.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.785 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -62.9 -47.65 82.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.598 HG11 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -66.49 -31.54 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.751 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -65.0 -48.33 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HG ' HD11 ' A' ' 58' ' ' LEU . 82.6 mt -57.44 -48.36 79.37 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.183 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.99 -39.42 74.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.811 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.3 -41.66 60.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.757 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.02 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.36 113.85 5.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 172.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -92.32 161.52 14.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.494 ' CE3' ' HA ' ' A' ' 5' ' ' TRP . 3.3 m95 -66.06 -12.17 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -85.98 -16.84 37.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -89.8 47.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.821 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 p -51.75 -39.33 58.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.407 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HA ' HG22 ' A' ' 60' ' ' VAL . 16.0 ttt180 -72.09 -48.43 44.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.654 0.264 . . . . 0.0 110.461 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.55 -25.51 68.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 67.0 mt -78.08 -42.93 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.098 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.13 97.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.856 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.48 -42.18 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.653 0.264 . . . . 0.0 110.802 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.36 84.83 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.14 0.495 . . . . 0.0 110.751 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 58.3 mt -64.2 -47.94 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.797 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.661 ' HD1' ' CD2' ' A' ' 16' ' ' TYR . 40.3 t80 -62.75 -44.19 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.172 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.15 -41.16 82.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.394 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.25 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.707 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -124.66 72.39 60.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.331 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.15 -12.43 15.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.092 1.861 . . . . 0.0 111.221 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.18 -6.63 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.48 130.15 56.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.434 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -84.63 123.52 74.27 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.62 -10.85 26.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.042 2.495 . . . . 0.0 111.927 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -60.43 -45.7 92.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.442 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -90.25 -5.61 56.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.143 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.2 t -81.77 118.68 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -85.53 166.58 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.91 177.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -60.95 -38.58 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.99 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -57.38 -43.02 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.64 -44.95 55.54 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.29 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.235 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' HA ' HG23 ' A' ' 36' ' ' ILE . 17.8 t-80 -61.94 -31.92 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.14 -45.45 81.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.203 0.525 . . . . 0.0 109.693 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -74.43 -42.5 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.052 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -63.18 -33.95 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.712 -178.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 m -75.1 -21.1 59.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.039 0.447 . . . . 0.0 110.98 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -87.99 -10.82 49.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.359 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 68.7 mt -67.29 127.48 32.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.155 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.55 -18.98 58.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.57 -20.23 60.02 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.443 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 50.8 t80 -85.31 133.79 34.13 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.929 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.36 74.08 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.744 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -139.29 -90.48 0.19 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -145.86 109.87 4.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 122.319 -0.238 . . . . 0.0 110.695 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.99 -5.21 15.69 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.245 1.963 . . . . 0.0 113.391 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -100.67 -38.32 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.282 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.04 58.67 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.311 0.577 . . . . 0.0 111.252 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 m -101.96 55.36 0.8 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -60.75 157.3 15.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.613 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.27 -43.86 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -169.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.446 '2HD ' ' O ' ' A' ' 52' ' ' LYS . 1.9 tmmm? -52.14 -43.37 64.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.019 0.438 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.56 -59.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.139 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.31 -29.25 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.433 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -61.97 -52.75 62.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.491 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 60' ' ' VAL . . . -57.97 -36.91 73.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.945 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -39.29 92.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.292 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.6 mt -58.91 -41.17 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 9' ' ' ARG . 80.6 t -61.37 -46.78 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.459 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -60.83 -42.69 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.29 -30.06 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.228 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -82.4 -36.44 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.549 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.86 -21.18 28.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.588 -179.191 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.596 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 95.8 mt -74.04 129.1 37.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.905 0.383 . . . . 0.0 110.802 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' CD ' '2HB ' ' A' ' 44' ' ' ASP . 67.3 mmtt -105.2 174.15 6.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 171.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -71.64 -19.3 62.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.487 0.66 . . . . 0.0 109.516 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 m -67.37 -24.85 65.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.213 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -90.44 41.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -59.55 -30.84 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.754 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -70.2 -49.83 46.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.547 . . . . 0.0 109.762 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -59.97 -38.96 84.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.444 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.7 mt -66.78 -39.42 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.554 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -59.67 -42.37 97.84 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.857 176.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.47 -41.91 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.16 76.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.141 0.496 . . . . 0.0 111.043 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 54.7 mt -65.06 -44.09 90.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.403 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.644 ' HE2' ' CE1' ' A' ' 16' ' ' TYR . 58.8 t80 -71.73 -27.83 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.02 -37.26 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.24 -36.7 46.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.343 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -129.53 70.84 82.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.304 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.2 -29.55 4.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.124 1.883 . . . . 0.0 111.898 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.71 46.22 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.818 0.818 . . . . 0.0 109.915 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.93 132.78 15.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.612 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.33 118.55 72.22 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.3 . . . . 0.0 110.497 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.538 '2HG ' HD21 ' A' ' 62' ' ' LEU . 40.2 Cg_endo -69.2 -4.98 14.75 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.535 2.157 . . . . 0.0 112.317 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.82 -31.62 25.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.779 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -82.26 -24.69 34.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.131 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.0 123.7 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.74 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -95.59 177.13 5.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.621 ' HD2' ' CD1' ' A' ' 29' ' ' PHE . 96.5 m-85 -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.911 -176.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -68.34 -35.23 77.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -68.38 -47.55 67.06 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.996 0.427 . . . . 0.0 110.025 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.44 ' SD ' HD12 ' A' ' 15' ' ' LEU . 13.8 tmm? -62.97 -44.17 96.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.677 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.614 ' HA ' HG23 ' A' ' 36' ' ' ILE . 61.1 t-80 -61.48 -32.81 72.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -58.46 -49.16 78.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 0.0 110.171 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -73.83 -43.09 59.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.824 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.45 -23.79 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 -177.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 t -72.32 -28.62 63.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.88 18.07 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.549 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.684 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 33.8 mt -63.34 116.68 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.68 -34.15 70.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.581 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.41 ' OD2' ' HG ' ' A' ' 3' ' ' LEU . 36.4 t70 -82.13 -17.42 46.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.433 . . . . 0.0 110.96 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.596 ' HA ' '2HB ' ' A' ' 3' ' ' LEU . 86.8 t80 -77.65 130.95 37.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -152.62 90.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.884 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.464 '2HB ' ' CD ' ' A' ' 4' ' ' LYS . 32.8 t70 -152.55 -94.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.537 173.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.32 106.55 4.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.633 0.254 . . . . 0.0 110.462 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.32 -27.33 84.66 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.924 2.416 . . . . 0.0 114.067 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -97.01 -0.41 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -172.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.05 28.15 1.24 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -77.02 67.58 3.03 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.608 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.512 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 64.9 m-20 -54.07 157.15 2.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.613 173.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -52.73 -56.82 12.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.613 0.244 . . . . 0.0 111.584 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -68.15 -21.04 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.256 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.55 -54.85 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.49 -34.47 74.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.632 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.4 tt0 -58.73 -50.43 73.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.47 73.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 111.145 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.64 -35.58 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.82 -39.24 64.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.792 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.682 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.554 HG11 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -67.15 -32.22 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -63.91 -47.31 81.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.538 HD21 '2HG ' ' A' ' 24' ' ' PRO . 96.1 mt -58.24 -43.06 87.6 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.933 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.04 -34.02 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.674 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -86.32 -22.12 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.461 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.27 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.37 119.98 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.956 0.407 . . . . 0.0 111.271 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -92.15 151.32 20.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.448 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -66.4 -16.43 64.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.611 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -77.5 -6.95 55.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -106.77 48.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.924 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -63.26 -27.53 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.784 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -73.72 -45.85 49.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -56.61 -44.97 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.468 174.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.71 -35.97 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.44 -40.17 95.8 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.941 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.47 -46.48 89.93 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.5 -46.2 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.319 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -68.15 -47.32 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.626 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 53.0 t80 -69.72 -31.71 69.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.0 111.195 -175.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -78.29 -38.18 43.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.695 0.283 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.35 55.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.834 0.35 . . . . 0.0 111.113 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.64 68.64 74.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.221 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -18.56 14.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.008 1.805 . . . . 0.0 111.648 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -90.88 6.64 43.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.351 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.6 134.42 51.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.122 0.487 . . . . 0.0 110.893 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' HG21 ' A' ' 27' ' ' VAL . 13.7 t70 -85.37 122.39 73.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.164 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.02 -15.72 51.89 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.806 2.337 . . . . 0.0 113.12 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -84.09 -31.27 25.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.705 0.288 . . . . 0.0 110.96 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 t -87.11 -17.81 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.756 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 23' ' ' ASP . 91.6 t -82.2 105.58 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -86.7 177.4 7.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.232 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.587 0.232 . . . . 0.0 110.864 -176.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -36.28 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.503 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.74 -49.03 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.405 ' HE3' ' HB ' ' A' ' 57' ' ' ILE . 9.1 tmm? -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.995 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.5 -35.55 63.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.734 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.5 -51.88 15.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.008 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -61.91 -47.21 85.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.966 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.493 ' O ' HD11 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -65.97 -35.39 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.829 -176.425 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 84.5 m -79.08 -11.89 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.062 0.458 . . . . 0.0 110.922 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -96.36 -4.64 41.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.369 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 '2HB ' ' CB ' ' A' ' 42' ' ' PHE . 80.7 mt -60.46 141.16 56.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.364 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.15 -36.97 80.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.356 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -96.57 -2.65 44.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' A' ' 42' ' ' PHE . 58.1 t80 -77.65 117.26 18.89 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.507 169.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -161.53 83.89 0.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -144.7 -80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.016 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.32 103.42 4.34 Favored Pre-proline 0 C--N 1.33 -0.25 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.088 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.54 2.25 8.52 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.946 2.431 . . . . 0.0 113.037 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -104.42 -35.34 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.41 13.79 9.28 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 p -76.6 53.62 0.89 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.701 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -61.49 166.18 4.26 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.924 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.34 -45.81 80.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -69.25 -29.73 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.407 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 0.0 109.813 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.41 -35.61 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.378 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.5 tt0 -61.5 -44.14 97.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.61 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' HB ' ' HE3' ' A' ' 32' ' ' MET . 52.8 mt -79.91 -29.83 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.497 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -37.19 63.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.807 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.7 mt -61.62 -41.84 98.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.796 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.42 -33.42 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -64.07 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.6 -46.17 89.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.433 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.82 -37.99 73.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.627 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.58 -20.8 58.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.502 178.165 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.568 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 96.1 mt -66.56 102.36 0.89 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.956 0.408 . . . . 0.0 110.796 177.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -91.86 154.09 19.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.515 176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -61.31 -25.33 67.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.528 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -6.87 59.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.08 0.467 . . . . 0.0 111.247 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -107.91 45.08 1.03 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.221 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -57.65 -30.46 65.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.563 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -66.16 -46.64 76.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.6 -36.59 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.042 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 61.2 mt -69.0 -39.78 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.636 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -58.11 -47.54 88.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.086 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.98 -35.92 81.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.446 0.165 . . . . 0.0 110.673 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.34 90.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.19 0.519 . . . . 0.0 110.847 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 37.5 mt -68.35 -39.72 81.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.961 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -70.62 -33.45 71.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.83 -41.24 75.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 -35.33 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.65 78.44 74.88 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.482 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.25 -35.63 2.22 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.839 2.359 . . . . 0.0 112.486 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.86 -3.02 59.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -89.82 120.66 31.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.186 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.535 ' OD2' '2HB ' ' A' ' 25' ' ' LYS . 18.8 t70 -75.49 119.29 76.35 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.86 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.513 '2HG ' HD21 ' A' ' 62' ' ' LEU . 39.4 Cg_endo -66.65 -10.96 29.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.06 2.507 . . . . 0.0 113.387 -175.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.535 '2HB ' ' OD2' ' A' ' 23' ' ' ASP . 49.1 mttm -83.87 -24.7 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -88.62 -7.62 56.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 110.259 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.29 105.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.892 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -87.39 169.31 12.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.601 ' HD2' ' CD1' ' A' ' 29' ' ' PHE . 77.6 m-85 -57.38 -38.36 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 0.0 111.208 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -64.66 -42.69 95.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.284 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.51 ' HA ' HE21 ' A' ' 34' ' ' GLN . 10.0 m-20 -65.51 -50.26 65.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.16 0.505 . . . . 0.0 109.89 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -59.55 -39.11 82.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.6 ' HA ' HG23 ' A' ' 36' ' ' ILE . 34.5 t-80 -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.51 HE21 ' HA ' ' A' ' 31' ' ' ASP . 45.8 mt-30 -65.7 -39.12 90.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.688 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -86.5 -37.44 18.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.83 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.632 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.16 -35.87 65.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.679 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.13 -12.73 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.276 0.56 . . . . 0.0 110.241 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -115.55 24.79 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.978 0.894 . . . . 0.0 109.576 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.662 '2HB ' '2HB ' ' A' ' 42' ' ' PHE . 63.6 mt -75.87 137.63 40.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.965 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.96 -34.32 77.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.246 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -92.5 -10.97 35.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.21 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.662 '2HB ' '2HB ' ' A' ' 39' ' ' LEU . 76.2 t80 -61.88 127.39 31.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -148.34 79.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.587 -178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -170.05 172.49 6.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.12 107.29 4.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 122.796 0.438 . . . . 0.0 111.779 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -69.71 -9.18 25.5 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.125 2.55 . . . . 0.0 113.348 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.1 -36.97 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.31 24.82 0.42 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.388 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.424 '2HB ' HD22 ' A' ' 54' ' ' LEU . 55.4 p -76.52 65.78 2.41 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.524 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.1 m-80 -54.28 155.55 3.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.479 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.51 -50.0 73.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -172.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.86 -19.49 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.357 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 30.5 mm -67.85 -54.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.424 HD22 '2HB ' ' A' ' 49' ' ' SER . 59.5 mt -65.45 -33.33 75.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.315 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -57.59 -48.92 78.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.681 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.61 79.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.5 -43.0 87.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.06 -41.08 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -61.03 -46.44 90.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.514 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.636 HG11 ' HA3' ' A' ' 12' ' ' GLY . 7.4 p -69.57 -29.79 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.924 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -63.41 -46.84 84.54 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.513 HD21 '2HG ' ' A' ' 24' ' ' PRO . 89.6 mt -56.4 -43.36 79.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.594 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.51 -38.91 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.894 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.63 -31.92 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.428 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.143 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.561 HD11 HG12 ' A' ' 11' ' ' ILE . 94.7 mt -59.79 133.08 55.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.958 0.409 . . . . 0.0 111.464 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -91.18 152.46 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.646 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -71.19 -12.2 61.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.888 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -101.44 6.97 42.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.511 0.672 . . . . 0.0 110.334 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.44 64.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.372 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 p -62.48 -38.32 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.907 -170.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.67 ' HA ' HG22 ' A' ' 60' ' ' VAL . 48.0 ttt85 -66.13 -47.73 73.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.294 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.561 HG12 HD11 ' A' ' 3' ' ' LEU . 60.1 mt -82.05 -40.1 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.964 0.412 . . . . 0.0 110.479 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.549 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -58.96 -44.86 95.9 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.88 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.17 -36.44 84.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.424 0.154 . . . . 0.0 110.911 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.49 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.385 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.403 HD12 ' SD ' ' A' ' 32' ' ' MET . 35.2 mt -65.58 -43.48 89.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.921 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.603 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 75.4 t80 -63.79 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.64 -41.86 65.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.166 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.606 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 36.5 m-85 -125.6 77.39 69.39 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.0 -32.85 3.02 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.878 2.385 . . . . 0.0 112.429 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -89.95 -1.03 57.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.235 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 tt -102.22 118.1 36.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -79.37 124.93 83.95 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.423 '2HG ' HD21 ' A' ' 62' ' ' LEU . 19.3 Cg_endo -59.54 -17.21 40.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.15 2.566 . . . . 0.0 111.916 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.28 -34.22 76.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.333 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -91.3 7.77 39.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.613 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t -103.09 123.19 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.059 0.457 . . . . 0.0 110.69 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -93.53 172.54 8.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.845 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.91 -38.51 91.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.844 0.354 . . . . 0.0 110.819 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.461 ' O ' '2HG ' ' A' ' 34' ' ' GLN . 20.8 p -63.09 -36.67 84.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.208 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.65 -53.62 13.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.052 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.403 ' SD ' HD12 ' A' ' 15' ' ' LEU . 8.5 tmm? -59.52 -39.23 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.184 -177.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -54.59 -37.38 65.48 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.461 '2HG ' ' O ' ' A' ' 30' ' ' THR . 11.5 mm100 -78.08 -41.73 34.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.038 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 36.7 m0 -69.75 -39.15 76.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.292 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -73.42 -33.25 39.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 -179.697 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -70.16 -22.45 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 111.058 -177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.82 30.23 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.361 0.601 . . . . 0.0 110.59 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.607 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 58.7 mt -80.89 136.71 36.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.8 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.03 -32.22 73.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.08 -18.23 37.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.018 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.421 ' CB ' '2HB ' ' A' ' 39' ' ' LEU . 72.5 t80 -88.31 136.12 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -170.3 74.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.58 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -129.03 -81.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.128 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -145.1 98.46 4.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.96 -11.27 19.8 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.751 2.301 . . . . 0.0 113.512 -175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -102.65 -23.44 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.423 ' C ' ' HG ' ' A' ' 49' ' ' SER . . . -72.55 -93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 48' ' ' ALA . 11.4 p 43.83 63.31 1.63 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.404 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 37.8 m-80 -59.0 161.16 5.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.66 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.37 -50.3 62.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -55.36 -31.03 61.43 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 41.1 mm -68.54 -55.4 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.05 -36.38 81.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.593 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.7 tt0 -63.32 -46.19 87.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.31 81.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.872 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.24 -33.0 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.527 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.3 tm? -71.01 -40.31 71.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 94.2 mt -62.58 -41.73 99.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 9' ' ' ARG . 13.9 p -71.32 -31.77 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.425 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -64.71 -42.85 94.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.3 mt -60.79 -41.35 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.642 176.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.57 -37.44 82.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.017 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.08 -16.29 56.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.528 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 179.547 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.444 HD11 HG12 ' A' ' 11' ' ' ILE . 92.8 mt -76.01 134.66 40.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.605 '2HG ' ' OD2' ' A' ' 7' ' ' ASP . 4.7 mmtm -95.98 173.31 7.5 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -74.76 -19.07 60.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.525 . . . . 0.0 110.387 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -80.31 -12.13 59.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.139 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.605 ' OD2' '2HG ' ' A' ' 4' ' ' LYS . 93.8 m-20 -86.22 52.4 2.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.288 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.411 ' O ' HG12 ' A' ' 60' ' ' VAL . 6.9 p -62.79 -29.4 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.597 -176.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -73.88 -55.02 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 109.841 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -58.51 -39.88 81.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.802 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 HD11 HD12 ' A' ' 36' ' ' ILE . 50.2 mt -70.96 -42.95 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -57.86 -45.9 93.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.225 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.456 '2HG ' ' OE2' ' A' ' 64' ' ' GLU . 42.8 mt-10 -65.67 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.45 84.49 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.178 0.513 . . . . 0.0 111.371 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.17 -39.9 75.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.776 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -72.39 -24.3 61.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.294 0.568 . . . . 0.0 109.8 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -66.02 -54.45 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.578 175.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.64 72.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.365 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -128.54 73.04 80.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.656 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 -38.42 3.57 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.347 2.031 . . . . 0.0 112.423 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.09 31.17 1.12 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tt -122.99 121.72 36.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.409 ' HA ' '2HD ' ' A' ' 24' ' ' PRO . 9.6 m-20 -78.71 118.56 73.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.501 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.649 '2HG ' HD21 ' A' ' 62' ' ' LEU . 24.0 Cg_endo -62.99 -10.85 21.97 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.987 2.458 . . . . 0.0 111.942 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -54.8 -46.07 74.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.588 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 p -92.19 9.46 33.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.051 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.09 114.03 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.329 . . . . 0.0 110.796 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -94.3 179.74 5.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.404 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.623 ' HD1' ' CD2' ' A' ' 29' ' ' PHE . 25.0 m-85 -62.33 -43.72 98.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -172.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.561 ' O ' '2HG ' ' A' ' 34' ' ' GLN . 83.6 m -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.126 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.8 -48.21 81.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.218 0.532 . . . . 0.0 110.335 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.1 ttp -61.31 -36.89 81.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.007 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.654 ' HA ' HG21 ' A' ' 36' ' ' ILE . 33.7 t-80 -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.561 '2HG ' ' O ' ' A' ' 30' ' ' THR . 31.6 mm-40 -60.65 -44.44 96.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.223 0.535 . . . . 0.0 110.181 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -84.43 -38.96 19.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.269 -174.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.654 HG21 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -71.22 -31.13 43.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.277 -176.369 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.8 t -72.97 -20.11 61.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 0.0 110.356 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.69 37.82 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.678 0.751 . . . . 0.0 110.166 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.541 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 60.4 mt -90.45 157.76 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.453 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.44 -29.55 24.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.733 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.06 -17.59 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.167 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -92.19 131.4 37.46 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.773 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -170.85 97.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.104 172.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.73 -76.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.864 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -145.7 104.53 4.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.154 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.57 -5.71 17.53 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.361 2.041 . . . . 0.0 113.766 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -104.61 -22.2 13.29 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m 54.74 63.74 2.04 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.799 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.578 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 75.1 m-20 -59.3 154.38 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.665 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.92 -47.94 81.38 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.57 -176.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -67.97 -24.73 65.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 0.0 111.013 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.578 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 17.9 mm -60.82 -57.06 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.684 172.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.38 -33.01 74.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.1 tt0 -57.47 -50.61 72.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.003 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.85 -38.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.292 0.568 . . . . 0.0 110.568 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.94 -39.6 83.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.845 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 72.1 mt -64.99 -40.88 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.744 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.484 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 8.7 p -71.52 -32.74 47.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -64.85 -42.64 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.649 HD21 '2HG ' ' A' ' 24' ' ' PRO . 64.0 mt -54.44 -50.9 66.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.21 173.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.55 -31.43 56.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.541 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' OE2' '2HG ' ' A' ' 13' ' ' GLU . 51.0 mt-10 -86.0 -26.46 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.352 . . . . 0.0 111.523 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.58 139.27 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -105.61 154.11 20.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.213 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -56.79 -31.45 64.68 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.365 . . . . 0.0 111.374 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -65.38 -27.64 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.21 60.56 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.462 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.455 ' O ' HG12 ' A' ' 60' ' ' VAL . 6.5 p -59.96 -36.01 76.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.039 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.702 ' HA ' HG22 ' A' ' 60' ' ' VAL . 40.6 ttt85 -67.91 -49.37 62.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.351 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.13 -31.71 72.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.45 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 82.8 mt -73.78 -42.69 54.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.293 176.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.604 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -59.3 -42.19 97.22 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.95 -39.29 93.26 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.08 86.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 110.73 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 40.3 mt -65.15 -37.86 88.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.928 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.611 ' HD1' ' CD2' ' A' ' 16' ' ' TYR . 77.4 t80 -75.84 -39.11 57.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.354 . . . . 0.0 111.084 178.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.77 -44.81 80.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.06 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.88 -26.1 31.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.61 66.24 77.75 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 120.456 0.17 . . . . 0.0 111.223 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.79 -22.34 17.81 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.787 1.658 . . . . 0.0 111.355 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.92 19.32 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.712 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -122.73 112.85 18.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.13 123.47 82.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.738 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.583 '2HB ' HD21 ' A' ' 62' ' ' LEU . 74.2 Cg_endo -76.3 -10.06 19.07 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 113.417 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -82.7 -28.59 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -90.21 14.35 12.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -106.3 120.16 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.66 173.55 7.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.37 -41.34 89.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.748 0.309 . . . . 0.0 110.617 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.8 -39.27 93.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.221 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.61 -49.89 60.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.377 0.608 . . . . 0.0 109.814 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.46 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 19.9 ttp -63.6 -34.5 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.216 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -61.0 -26.22 67.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.217 -178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.23 -60.54 2.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.126 0.489 . . . . 0.0 110.133 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -63.08 -36.64 84.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.338 -175.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.89 -30.58 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.488 -177.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.8 t -68.22 -40.08 82.18 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.524 0.202 . . . . 0.0 110.843 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -109.9 29.71 7.37 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.499 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.681 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 32.3 mt -56.49 139.95 47.66 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.19 -26.13 64.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.514 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -111.17 -4.9 14.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CB ' '2HB ' ' A' ' 39' ' ' LEU . 86.5 t80 -90.5 137.22 32.53 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.794 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -170.07 86.5 0.13 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.039 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -136.53 -88.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.475 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -145.35 112.85 4.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.26 -1.38 11.5 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.232 1.954 . . . . 0.0 114.023 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -113.09 -37.0 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.386 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.21 34.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.1 p -82.33 52.6 2.07 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -58.75 166.56 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.054 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.65 -41.51 81.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -68.26 -27.66 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.0 mm -68.75 -55.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.418 175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.67 -33.84 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.311 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.3 tt0 -61.61 -44.82 96.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.794 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.74 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 111.015 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 66.3 mt -71.91 -38.46 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 110.495 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.5 tm? -64.88 -42.99 94.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -60.71 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.472 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.702 HG22 ' HA ' ' A' ' 9' ' ' ARG . 12.6 p -65.87 -33.38 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.755 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -63.47 -42.6 98.6 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.583 HD21 '2HB ' ' A' ' 24' ' ' PRO . 95.7 mt -57.02 -54.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.252 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.09 -34.16 77.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.941 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -77.39 -33.97 55.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.633 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.26 132.51 39.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.508 '2HB ' ' OD2' ' A' ' 7' ' ' ASP . 31.9 mmtm -90.03 157.31 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.282 172.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -70.16 -16.48 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.501 . . . . 0.0 110.493 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -76.72 -19.68 57.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.393 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.508 ' OD2' '2HB ' ' A' ' 4' ' ' LYS . 58.1 m-20 -86.08 63.56 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.272 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -53.7 -44.82 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.466 ' HA ' HG22 ' A' ' 60' ' ' VAL . 32.5 ttt180 -70.45 -47.91 58.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.511 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.77 -23.67 67.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.963 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.547 HG22 HD11 ' A' ' 57' ' ' ILE . 77.4 mt -77.09 -43.5 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.61 96.75 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.895 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -58.47 -41.49 85.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.61 99.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.5 -38.66 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.627 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 88.6 t80 -69.73 -36.87 76.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.752 0.31 . . . . 0.0 110.51 177.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.11 -38.79 92.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.139 0.495 . . . . 0.0 110.68 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.97 -40.99 26.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.419 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -127.78 75.91 77.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.295 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.75 -28.07 3.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.271 1.981 . . . . 0.0 112.387 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -90.72 -6.05 54.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.59 114.27 26.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.767 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -64.73 119.65 59.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.537 '2HG ' HD21 ' A' ' 62' ' ' LEU . 19.3 Cg_endo -60.3 -15.07 32.87 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.018 2.479 . . . . 0.0 112.598 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.2 -38.76 88.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.9 t -91.14 5.66 48.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.058 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.41 110.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -84.18 165.72 18.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.235 -0.438 . . . . 0.0 109.949 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -59.9 -34.85 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 110.42 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.446 ' O ' '2HG ' ' A' ' 34' ' ' GLN . 1.7 p -62.64 -53.0 61.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.102 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.84 -49.19 78.68 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 109.968 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -59.58 -41.18 89.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.652 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.62 ' HA ' HG23 ' A' ' 36' ' ' ILE . 41.5 t-80 -65.48 -35.09 79.87 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.751 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.446 '2HG ' ' O ' ' A' ' 30' ' ' THR . 15.8 mm100 -60.96 -49.37 77.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.901 0.382 . . . . 0.0 110.543 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -73.77 -41.4 62.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.961 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.709 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.3 -32.08 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.745 -176.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.57 -18.23 60.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.399 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -111.09 25.48 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.491 0.662 . . . . 0.0 110.069 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.709 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 38.8 mt -80.38 144.57 32.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.541 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.22 -33.22 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.533 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.95 -18.91 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.317 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.652 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 70.7 t80 -79.23 128.94 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.919 0.39 . . . . 0.0 110.67 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -169.98 94.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -158.97 -76.29 0.07 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.2 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -145.9 113.44 4.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.041 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -78.29 -24.33 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.79 2.327 . . . . 0.0 112.765 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -84.97 -36.83 21.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.68 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.6 87.0 6.29 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.249 0.547 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -127.98 61.22 1.44 Allowed 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.518 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.7 t30 -48.2 141.18 6.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.559 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -48.48 -51.38 27.45 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.24 -21.48 63.93 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.518 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 19.8 mm -66.97 -56.19 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.472 0.653 . . . . 0.0 109.572 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.07 -30.81 70.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.742 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 35.7 tt0 -58.48 -47.84 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.782 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.41 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.547 HD11 HG22 ' A' ' 11' ' ' ILE . 64.7 mt -69.9 -37.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.64 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.33 -38.46 81.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.5 mt -62.47 -46.8 86.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.571 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 9' ' ' ARG . 13.7 p -64.25 -36.23 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -62.29 -42.62 99.51 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD21 '2HG ' ' A' ' 24' ' ' PRO . 98.3 mt -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.52 -37.86 74.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.434 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -77.87 -42.31 33.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.211 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.467 -177.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.557 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 88.3 mt -68.43 115.28 7.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.825 0.821 . . . . 0.0 109.326 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HZ1' ' CG ' ' A' ' 44' ' ' ASP . 22.2 tptp -96.54 164.93 12.4 Favored 'General case' 0 N--CA 1.417 -2.124 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.47 -173.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.47 ' CE3' HG22 ' A' ' 53' ' ' ILE . 25.6 m95 -75.38 53.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.909 0.861 . . . . 0.0 109.823 173.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -146.67 -35.76 0.25 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.641 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.81 51.91 1.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.528 ' O ' HG12 ' A' ' 60' ' ' VAL . 13.7 p -59.25 -36.29 75.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.599 HH11 HG21 ' A' ' 60' ' ' VAL . 24.7 tpp180 -76.11 -38.47 56.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.195 0.522 . . . . 0.0 109.706 -177.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.75 -44.29 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.259 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.457 HG12 HD11 ' A' ' 3' ' ' LEU . 77.1 mt -67.84 -29.89 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.73 -37.08 92.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.46 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.31 -34.16 75.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.1 86.98 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.339 0.59 . . . . 0.0 110.622 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.17 -45.04 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.871 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.627 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 90.0 t80 -67.92 -38.53 83.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.794 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.05 -45.06 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.511 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.85 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.589 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 18.7 m-85 -128.84 78.23 76.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.532 0.206 . . . . 0.0 110.695 -177.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.97 -29.94 3.94 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.375 2.05 . . . . 0.0 112.907 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.33 2.76 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -99.29 134.14 42.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.732 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' O ' HG21 ' A' ' 27' ' ' VAL . 2.6 m-20 -71.92 114.21 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.525 '2HG ' HD21 ' A' ' 62' ' ' LEU . 30.1 Cg_endo -65.21 -18.42 61.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.548 2.165 . . . . 0.0 110.955 174.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.62 -36.78 68.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.5 m -80.25 -24.85 39.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.475 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 23' ' ' ASP . 85.8 t -70.11 126.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.19 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -98.08 174.24 6.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 29' ' ' PHE . 55.2 m-85 -62.31 -39.19 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.7 m -62.83 -44.4 96.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.103 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -62.13 -56.28 20.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.527 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.409 ' SD ' ' HB ' ' A' ' 36' ' ' ILE . 13.3 tmm? -59.56 -40.03 85.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.656 -176.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.508 ' HA ' HG23 ' A' ' 36' ' ' ILE . 28.9 t-80 -60.55 -33.07 72.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -67.47 -40.58 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -79.0 -42.51 26.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.188 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.545 HD11 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -64.66 -31.28 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.029 0.442 . . . . 0.0 109.905 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.63 -30.98 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.125 0.488 . . . . 0.0 110.157 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.53 35.57 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.303 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.545 '2HB ' ' CB ' ' A' ' 42' ' ' PHE . 72.0 mt -86.62 136.11 33.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.3 pm0 -75.48 -22.47 57.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.63 -11.28 29.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.468 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 55.6 t80 -81.38 134.31 35.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.95 98.49 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.26 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.449 ' CG ' ' HZ1' ' A' ' 4' ' ' LYS . 30.7 t70 -161.6 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.446 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -145.72 98.98 4.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.945 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.99 -15.04 26.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.498 2.132 . . . . 0.0 113.135 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -91.59 -31.89 15.72 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.527 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.12 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.77 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m 50.12 64.42 1.8 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.681 0.613 . . . . 0.0 111.611 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.807 '2HB ' HG12 ' A' ' 53' ' ' ILE . 1.8 m-20 -50.35 148.93 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.589 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.41 -35.57 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -56.72 -41.01 76.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.307 0.575 . . . . 0.0 109.921 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.807 HG12 '2HB ' ' A' ' 50' ' ' ASN . 13.2 mm -64.92 -55.99 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.127 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.9 -38.3 81.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.494 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.0 tt0 -66.39 -42.03 88.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.304 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.28 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.973 0.416 . . . . 0.0 110.627 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.8 mt -72.33 -29.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.399 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -73.67 -38.38 64.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.521 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 86.0 mt -63.4 -43.93 96.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.074 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.599 HG21 HH11 ' A' ' 9' ' ' ARG . 2.4 p -65.75 -34.31 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -64.36 -39.01 93.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.525 HD21 '2HG ' ' A' ' 24' ' ' PRO . 95.8 mt -61.81 -41.66 98.03 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.846 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -55.44 -46.31 76.76 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.362 . . . . 0.0 111.653 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.19 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.817 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.837 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.552 ' HA3' ' O ' ' A' ' 41' ' ' ASP . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.2 105.59 7.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -77.91 146.95 35.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -64.06 -22.39 66.91 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.947 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -67.18 -26.56 66.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.332 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -87.79 62.27 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 109.923 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -58.17 -35.64 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.007 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -73.05 -41.9 63.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.26 -34.58 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.719 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 68.9 mt -82.7 -38.74 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.525 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -57.93 -45.01 94.2 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.292 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -71.78 -28.9 63.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.551 0.215 . . . . 0.0 110.616 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.54 99.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.279 0.562 . . . . 0.0 110.318 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 46.6 mt -67.07 -34.21 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.507 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.51 -34.41 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.416 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -67.88 -48.66 65.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.466 177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.45 69.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.687 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -123.89 75.67 57.38 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.11 -15.03 13.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.264 1.976 . . . . 0.0 111.502 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -90.41 -13.9 34.0 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.777 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.55 137.55 33.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.114 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.509 ' O ' HG21 ' A' ' 27' ' ' VAL . 10.9 m-20 -79.61 119.83 78.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.962 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.493 '2HB ' HD21 ' A' ' 62' ' ' LEU . 39.5 Cg_endo -67.33 -18.16 49.89 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.046 1.831 . . . . 0.0 111.223 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -84.27 -18.28 36.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.76 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -91.18 -22.92 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 23' ' ' ASP . 67.5 t -72.79 132.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.618 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.524 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.6 mmp_? -101.47 168.68 9.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 173.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 42.6 m-85 -59.44 -44.3 92.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -174.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -58.12 -42.54 86.01 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.516 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -64.46 -48.37 75.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.128 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -59.3 -38.23 79.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.412 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.448 ' HA ' HG23 ' A' ' 36' ' ' ILE . 45.0 t60 -60.44 -24.02 64.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.95 -39.41 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.301 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -80.65 -44.15 19.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.768 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.537 ' O ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.36 -31.98 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -176.16 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.19 -20.77 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.83 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.65 26.7 10.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.502 0.668 . . . . 0.0 110.377 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 77.9 mt -81.74 138.6 35.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.552 ' O ' ' HA3' ' A' ' 2' ' ' GLY . 13.4 m-20 -84.51 -18.67 35.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.717 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.661 ' HD1' ' CD2' ' A' ' 42' ' ' PHE . 86.8 t80 -81.5 120.71 25.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.053 177.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.65 57.47 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -137.02 -91.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -169.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -120.55 84.55 36.5 Favored Pre-proline 0 C--O 1.222 -0.349 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.803 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.45 -2.18 12.36 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 121.812 1.675 . . . . 0.0 111.718 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -84.25 -18.27 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.988 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 129.17 48.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.083 0.468 . . . . 0.0 111.568 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -157.77 55.92 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.763 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 45.7 t30 -57.3 153.56 12.01 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.695 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.98 -50.87 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.516 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -64.54 -26.02 68.24 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.547 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.59 -53.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 171.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.4 mt -66.56 -34.73 78.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.377 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 33.6 tt0 -62.56 -42.91 99.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.317 -177.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.12 84.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.151 0.5 . . . . 0.0 110.759 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.26 -33.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.477 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -72.34 -41.73 66.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.974 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -60.54 -44.27 96.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.831 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.525 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -68.05 -34.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.179 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -63.94 -39.6 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.4 mt -58.58 -49.72 76.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.56 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -74.56 -30.61 61.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -173.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.671 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.973 0 N-CA-C 112.817 -0.113 . . . . 0.0 112.817 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.437 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 90.3 mt -70.8 103.75 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.688 0.28 . . . . 0.0 110.295 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.09 151.91 18.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.444 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.404 ' CZ3' HD13 ' A' ' 36' ' ' ILE . 81.4 m95 -66.06 -14.01 60.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -74.23 -21.94 59.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.121 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -102.12 60.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.477 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 p -61.59 -30.95 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -74.47 -40.03 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 0.0 110.396 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.6 -37.84 87.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.269 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.579 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -58.64 -48.22 85.89 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.69 -33.7 76.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.649 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.67 72.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.44 -34.12 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.648 ' HD1' ' CD2' ' A' ' 16' ' ' TYR . 65.5 t80 -63.9 -45.54 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.715 176.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.41 -35.84 81.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.616 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.97 -46.78 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.703 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.648 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 49.6 m-85 -131.28 79.32 70.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.678 0.275 . . . . 0.0 111.575 -175.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -80.56 -27.09 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.78 2.32 . . . . 0.0 111.67 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.92 -22.53 45.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.049 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.95 123.01 32.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.671 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.429 ' O ' HG21 ' A' ' 27' ' ' VAL . 7.8 m-20 -68.19 120.34 73.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.353 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.66 -19.72 61.87 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.824 2.349 . . . . 0.0 111.749 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -67.2 -38.64 85.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.436 0.636 . . . . 0.0 109.9 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.407 ' HG1' '2HB ' ' A' ' 23' ' ' ASP . 6.0 m -80.84 -19.37 44.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.045 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.504 HG13 '2HB ' ' A' ' 32' ' ' MET . 25.0 t -74.68 115.6 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.636 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -91.09 158.83 16.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.645 ' HE1' ' CE2' ' A' ' 29' ' ' PHE . 52.1 m-85 -58.33 -40.72 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 118.236 0.471 . . . . 0.0 111.429 -174.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -67.28 -44.17 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.11 -41.35 95.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.335 0.588 . . . . 0.0 110.18 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.628 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 22.6 ttt -57.78 -42.0 83.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.382 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 -36.73 82.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.414 0.626 . . . . 0.0 110.814 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.463 ' CZ3' HG11 ' A' ' 27' ' ' VAL . 8.6 m0 -86.89 -47.67 8.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.82 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.601 HD11 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -70.69 -30.12 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.629 0.252 . . . . 0.0 111.285 -174.17 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -79.72 -12.2 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.81 -0.556 . . . . 0.0 110.377 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.27 17.16 16.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.462 0.649 . . . . 0.0 110.269 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.702 '2HB ' '2HB ' ' A' ' 42' ' ' PHE . 80.6 mt -63.75 144.13 57.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.303 0.573 . . . . 0.0 110.467 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.41 -28.65 68.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.074 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -114.49 3.75 15.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.628 ' HE1' ' CE2' ' A' ' 42' ' ' PHE . 82.9 t80 -61.13 134.37 56.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.974 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.75 94.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.579 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -163.49 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.483 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -147.84 116.21 4.15 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 117.81 0.277 . . . . 0.0 110.537 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.31 -9.59 25.73 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.939 2.426 . . . . 0.0 113.911 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -101.72 -35.88 8.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.45 28.47 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -78.73 62.19 3.19 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.151 0.5 . . . . 0.0 109.784 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 85.9 m-20 -54.79 158.81 2.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.023 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 13.1 mp0 -58.67 -53.2 61.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.889 -174.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -67.09 -18.5 65.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.504 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 26.9 mm -65.87 -59.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.67 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 tt0 -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.782 178.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.71 83.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.4 . . . . 0.0 110.935 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.628 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 63.8 mt -71.99 -37.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -65.59 -40.51 92.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.3 mt -62.24 -41.41 98.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.781 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HA3' ' A' ' 12' ' ' GLY . 11.7 p -75.82 -30.31 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.209 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.2 mt -54.75 -51.0 67.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.028 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.77 -30.81 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.706 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -83.83 -34.96 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 0.0 111.425 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -173.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.93 100.63 4.17 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HA ' ' OD2' ' A' ' 44' ' ' ASP . 63.5 mmtt -72.09 158.14 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -60.76 -27.53 68.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 111.265 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.2 m -69.97 -22.68 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.33 45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -52.87 -38.12 61.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.535 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -67.3 -44.44 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.412 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -70.51 -37.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.67 -40.87 95.36 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.597 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.36 -47.94 80.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.63 76.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.455 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD12 ' SD ' ' A' ' 32' ' ' MET . 20.6 mt -63.49 -42.21 98.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.432 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -69.87 -37.75 76.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.37 . . . . 0.0 111.171 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.77 -44.08 57.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.998 0.427 . . . . 0.0 110.981 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 -29.92 35.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.733 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.646 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 49.4 m-85 -126.52 74.55 74.32 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.819 -178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.55 -23.34 7.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.687 2.258 . . . . 0.0 112.671 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.15 -4.37 57.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.573 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.35 107.11 19.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.026 0.441 . . . . 0.0 110.66 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 27' ' ' VAL . 1.1 t70 -67.83 123.1 86.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.781 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.538 '2HG ' HD21 ' A' ' 62' ' ' LEU . 23.5 Cg_endo -61.71 -19.88 66.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.163 2.576 . . . . 0.0 113.261 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.432 '2HB ' ' OD2' ' A' ' 23' ' ' ASP . 59.7 mttm -72.24 -45.96 58.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.817 0.341 . . . . 0.0 110.118 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.2 t -77.8 -17.95 56.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 23' ' ' ASP . 69.8 t -76.09 121.97 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 176.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -91.22 163.95 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.242 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -59.34 -42.39 91.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.029 0.443 . . . . 0.0 110.172 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -61.57 -30.69 70.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.531 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.23 -44.85 14.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.458 ' SD ' HD12 ' A' ' 15' ' ' LEU . 14.0 tmm? -59.75 -38.19 81.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.419 ' HA ' HG23 ' A' ' 36' ' ' ILE . 48.4 t-80 -57.98 -30.9 66.4 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -68.67 -51.84 37.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.142 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.6 -38.5 67.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.196 -175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.543 ' O ' HD11 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -67.17 -31.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.532 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.98 -21.15 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.281 0.562 . . . . 0.0 110.026 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.52 -7.59 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.492 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 69.6 mt -68.35 131.01 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.303 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -81.52 -15.3 55.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.95 -18.02 41.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.135 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -78.22 140.51 38.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.063 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -167.2 94.47 0.46 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.385 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' OD2' ' HA ' ' A' ' 4' ' ' LYS . 2.3 p30 -161.16 -89.77 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.221 170.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.433 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 5.9 m-20 -144.24 96.83 5.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.869 0.366 . . . . 0.0 111.298 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.424 '2HD ' ' HA ' ' A' ' 45' ' ' ASP . 37.3 Cg_endo -66.24 -14.94 46.48 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 111.683 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -80.42 -14.98 57.86 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.92 -95.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.4 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 p 43.55 63.66 1.48 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.766 0.667 . . . . 0.0 112.622 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.445 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 90.0 m-20 -59.74 150.67 27.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.277 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.425 ' HA ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.67 -33.54 72.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.876 -178.557 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -61.73 -34.72 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.206 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 25.9 mm -66.01 -52.21 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.734 175.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 51' ' ' GLU . 39.7 mt -59.31 -35.92 74.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.307 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 tt0 -63.23 -46.33 87.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.877 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.85 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.994 0.426 . . . . 0.0 110.814 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.01 -37.11 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.76 -40.32 72.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.785 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.8 mt -61.36 -44.88 96.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.589 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.09 -31.32 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.538 HD21 '2HG ' ' A' ' 24' ' ' PRO . 82.5 mt -57.88 -39.82 78.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.749 175.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.61 -47.36 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.744 -176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.73 -42.89 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.393 . . . . 0.0 111.444 -176.518 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.633 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.92 125.68 24.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.0 111.345 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 146.6 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.616 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -62.12 -29.48 70.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.15 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -66.1 -24.61 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.487 0.66 . . . . 0.0 110.099 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -99.6 50.36 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.704 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -60.91 -22.93 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -63.26 -45.51 91.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.82 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -72.61 -32.97 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.961 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.83 -37.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.59 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -59.57 -45.82 94.99 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 173.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.11 -34.79 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.734 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.9 74.33 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.26 -38.94 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 1.659 ' HD1' ' CD2' ' A' ' 16' ' ' TYR . 63.6 t80 -70.33 -24.98 63.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.634 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.43 -46.13 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.6 -28.27 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.625 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 82.8 m-85 -130.43 78.0 75.0 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 -36.63 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.853 2.368 . . . . 0.0 112.74 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.51 -2.65 57.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.4 tp -90.32 118.47 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.286 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' OD2' HG23 ' A' ' 26' ' ' THR . 5.6 p-10 -76.65 138.91 66.57 Favored Pre-proline 0 N--CA 1.44 -0.949 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.529 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.614 '2HG ' HD21 ' A' ' 62' ' ' LEU . 98.2 Cg_endo -81.47 4.84 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.726 2.284 . . . . 0.0 111.716 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -77.6 -38.53 48.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.481 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.437 HG23 ' OD2' ' A' ' 23' ' ' ASP . 7.1 t -82.29 -16.94 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.101 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.08 131.12 35.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 111.535 -174.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -102.37 171.77 7.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.505 174.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 29' ' ' PHE . 60.6 m-85 -62.78 -48.38 79.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.724 0.297 . . . . 0.0 110.963 -177.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 t -67.68 -33.44 74.94 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.19 -43.95 73.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.008 0.433 . . . . 0.0 110.343 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.43 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 19.4 ttp -63.32 -36.05 82.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.581 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HA ' HG23 ' A' ' 36' ' ' ILE . 64.8 t-80 -60.53 -35.72 76.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.48 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -56.62 -59.72 4.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 0.0 110.098 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.094 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.581 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.39 -27.69 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.52 -44.61 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.216 -0.303 . . . . 0.0 111.318 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.63 19.07 14.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.581 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 60.8 mt -58.01 134.94 56.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.103 173.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.25 -29.75 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.13 -1.85 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.433 -175.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 62.2 t80 -81.03 114.87 20.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.807 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.14 97.17 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.166 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -164.04 -96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -145.4 94.66 5.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.24 -11.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.01 2.473 . . . . 0.0 112.505 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -83.06 -35.33 25.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.529 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.55 38.98 0.81 Allowed 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.6 m -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.575 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.5 m-20 -55.43 157.33 3.86 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.85 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.09 -53.74 54.98 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -60.32 -29.93 69.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.989 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.575 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.8 mm -58.97 -56.45 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.489 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.72 -33.08 72.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.178 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 37.6 tt0 -63.31 -39.43 94.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.331 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.594 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.43 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 62.4 mt -66.83 -36.22 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.368 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 tm? -69.35 -42.15 75.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.758 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.0 mt -62.49 -37.29 85.41 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.108 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.401 HG11 ' HA3' ' A' ' 12' ' ' GLY . 7.2 p -75.27 -35.44 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -66.8 -36.16 81.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.614 HD21 '2HG ' ' A' ' 24' ' ' PRO . 87.4 mt -55.49 -33.87 64.09 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.558 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.18 -43.1 18.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.656 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.83 -44.3 61.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -175.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 110.509 179.325 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.528 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 94.0 mt -60.44 124.88 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.604 0.702 . . . . 0.0 109.864 174.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.691 '2HD ' '2HB ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -106.23 167.82 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.997 -177.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -78.84 66.88 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.767 0.794 . . . . 0.0 109.61 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.566 HG23 '2HB ' ' A' ' 4' ' ' LYS . 11.2 t -169.71 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.101 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -81.24 45.49 0.85 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.943 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -55.24 -38.11 68.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -76.44 -35.58 58.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.35 -36.75 82.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.379 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.1 mt -71.39 -37.08 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.029 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.62 -51.57 51.38 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.777 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.61 -40.18 74.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.576 0.227 . . . . 0.0 110.904 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.83 78.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.4 -39.26 68.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.5 -36.72 84.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.212 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.39 -46.64 19.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.488 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.98 64.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.335 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 1.621 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 91.6 m-85 -130.42 68.78 81.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.987 -178.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.75 -18.01 19.75 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.275 1.984 . . . . 0.0 111.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.61 -2.83 58.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.969 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' HG ' ' CH2' ' A' ' 35' ' ' TRP . 3.3 mm? -94.82 129.9 41.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' HG21 ' A' ' 27' ' ' VAL . 5.3 m-20 -84.92 114.02 53.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 '2HG ' HD21 ' A' ' 62' ' ' LEU . 17.8 Cg_endo -59.97 -17.58 45.29 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.811 2.341 . . . . 0.0 112.21 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -65.56 -48.22 73.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 p -87.85 -23.2 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.909 -175.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 23' ' ' ASP . 93.4 t -62.89 117.52 3.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -87.97 160.61 17.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.619 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.65 -39.54 80.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.885 0.311 . . . . 0.0 111.125 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.9 p -61.67 -44.21 97.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.597 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.41 -35.98 68.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.186 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -65.89 -38.6 89.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.514 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.609 ' HA ' HG23 ' A' ' 36' ' ' ILE . 53.0 t-80 -63.64 -35.38 80.36 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.587 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.94 -53.09 60.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.284 0.564 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.442 ' CH2' ' HG ' ' A' ' 22' ' ' LEU . 15.4 m0 -68.31 -50.41 53.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.139 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.609 HG23 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -65.49 -34.51 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.65 -175.119 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 t -78.4 -16.88 57.15 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.008 -0.433 . . . . 0.0 110.166 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.69 -17.45 31.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.299 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.565 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.7 mt -58.19 128.24 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.775 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -81.74 -15.45 54.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.847 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -79.34 -18.71 51.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 109.182 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 1.662 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 36.0 t80 -87.74 129.0 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.18 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -160.65 108.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.691 '2HB ' '2HD ' ' A' ' 4' ' ' LYS . 19.1 t70 -163.11 -84.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.831 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -147.22 113.52 4.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 1.65 7.56 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.976 2.451 . . . . 0.0 113.654 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -110.06 -36.15 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.836 0.309 . . . . 0.0 111.836 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.44 34.91 0.53 Allowed 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 p -80.14 64.16 4.88 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.53 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 77.4 m-20 -48.89 150.98 1.32 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.978 177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -41.38 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.985 -176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -63.68 -33.34 75.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.025 0.441 . . . . 0.0 110.583 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.7 mm -61.55 -54.39 35.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.073 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.01 -35.71 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.43 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.5 tt0 -61.64 -42.99 99.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.19 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 110.909 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.93 -33.66 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.299 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.15 -39.6 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.758 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 93.4 mt -60.13 -45.82 91.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.684 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 p -65.57 -35.45 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.365 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -64.15 -44.21 92.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.473 HD21 '2HG ' ' A' ' 24' ' ' PRO . 86.8 mt -56.6 -39.54 73.74 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.104 0.478 . . . . 0.0 110.968 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.41 -43.53 55.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.745 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -77.0 -31.94 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.693 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.334 -178.534 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.08 -152.74 9.04 Favored Glycine 0 CA--C 1.506 -0.472 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.97 121.68 12.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.008 0.433 . . . . 0.0 110.242 174.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -100.65 146.1 27.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.522 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -56.95 -46.33 82.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.2 m -62.89 -28.71 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.246 0.546 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.34 57.85 4.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.714 0.769 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -66.45 -27.96 68.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.469 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.496 ' HA ' HG22 ' A' ' 60' ' ' VAL . 31.3 ttm180 -68.41 -46.57 69.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.564 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.91 -34.71 73.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.245 0.545 . . . . 0.0 109.742 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -72.71 -42.73 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.62 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.63 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -58.16 -44.97 94.59 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -65.34 -38.39 89.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.95 91.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.996 0.426 . . . . 0.0 110.931 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 HD12 ' SD ' ' A' ' 32' ' ' MET . 18.9 mt -67.93 -42.51 80.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.214 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 35.1 t80 -72.03 -30.18 64.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.116 0.484 . . . . 0.0 110.624 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.01 -48.27 71.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.014 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.19 28.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.548 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.625 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 89.8 m-85 -128.8 66.13 74.6 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.778 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.38 -9.28 16.27 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.177 1.918 . . . . 0.0 111.128 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.57 -16.48 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.49 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 19' ' ' TYR . 7.3 mp -97.51 141.72 30.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.125 -175.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.465 ' O ' HG21 ' A' ' 27' ' ' VAL . 12.8 t70 -93.14 118.72 67.85 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.47 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.628 '2HG ' HD21 ' A' ' 62' ' ' LEU . 36.7 Cg_endo -65.99 -7.77 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.184 2.589 . . . . 0.0 113.868 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.4 '2HB ' ' OD2' ' A' ' 23' ' ' ASP . 39.6 mttp -81.39 -38.16 27.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.362 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 23' ' ' ASP . 96.4 t -83.69 119.3 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.513 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -93.18 175.57 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.95 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.65 ' HE2' ' CE1' ' A' ' 29' ' ' PHE . 23.1 m-85 -62.58 -42.02 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.402 . . . . 0.0 110.427 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 m -55.77 -54.08 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.123 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.18 -44.0 97.99 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.345 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.474 ' HE3' ' HB ' ' A' ' 57' ' ' ILE . 13.6 tmm? -63.46 -43.23 97.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.33 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.587 ' HA ' HG23 ' A' ' 36' ' ' ILE . 30.8 t-80 -62.96 -28.94 70.43 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.994 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -65.65 -47.35 75.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.147 0.499 . . . . 0.0 109.897 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -76.59 -40.8 48.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.765 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.587 HG23 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -66.01 -33.04 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.755 0.312 . . . . 0.0 110.682 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.09 -17.51 49.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.235 0.54 . . . . 0.0 109.918 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.087 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.531 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.4 mt -57.18 129.68 42.84 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.144 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.19 -27.98 64.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.206 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.19 -18.56 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.646 ' HD1' ' CD2' ' A' ' 42' ' ' PHE . 44.1 t80 -64.33 127.8 33.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.89 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -161.67 94.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.419 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -154.87 -90.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.336 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.72 111.91 3.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.213 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.05 -18.28 61.45 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.799 2.333 . . . . 0.0 113.821 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -103.08 -35.65 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.771 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.8 50.56 0.71 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.291 0.567 . . . . 0.0 111.806 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 m -93.37 66.59 3.97 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.538 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 22.6 m-20 -49.16 151.89 1.27 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.722 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.69 -51.55 65.18 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.467 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -65.12 -24.16 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.307 -177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 23.4 mm -62.45 -53.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.8 mt -67.65 -34.67 77.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.504 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 34.3 tt0 -63.57 -44.68 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.29 84.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.151 0.501 . . . . 0.0 110.69 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.474 ' HB ' ' HE3' ' A' ' 32' ' ' MET . 66.4 mt -69.78 -36.46 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.659 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.42 -43.7 76.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.475 ' HA ' HD13 ' A' ' 62' ' ' LEU . 84.1 mt -64.53 -39.08 93.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.577 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.63 HG11 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -72.94 -29.28 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.514 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -64.82 -44.05 91.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.628 HD21 '2HG ' ' A' ' 24' ' ' PRO . 68.7 mt -55.86 -44.1 77.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.325 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.04 -46.14 88.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.027 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -72.96 -44.49 61.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.859 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -63.15 -44.0 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -174.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.33 -179.547 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 ttp . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -154.84 12.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.565 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.508 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 95.0 mt -62.18 127.11 29.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.785 0.326 . . . . 0.0 110.772 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.511 ' HA ' '2HB ' ' A' ' 44' ' ' ASP . 3.1 mmmp? -96.28 166.96 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -72.97 21.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.2 m -124.58 -13.05 7.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.232 0.539 . . . . 0.0 110.141 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -89.92 48.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -59.38 -34.24 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 60' ' ' VAL . 70.2 ttt-85 -63.57 -53.67 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.707 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.35 -28.99 69.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.703 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.4 mt -71.01 -40.28 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.019 0.438 . . . . 0.0 109.884 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.562 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -61.0 -43.57 99.28 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.906 176.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.76 84.02 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD12 ' SD ' ' A' ' 32' ' ' MET . 25.9 mt -64.96 -44.79 88.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.768 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.646 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 73.1 t80 -64.29 -40.01 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.41 -40.29 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.65 60.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.82 75.61 75.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.745 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -74.14 -22.24 17.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.211 1.941 . . . . 0.0 112.172 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -84.65 -11.88 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.327 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD21 ' HA ' ' A' ' 22' ' ' LEU . 34.1 mt -90.02 122.38 32.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 111.0 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.74 123.26 63.88 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.69 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.62 '2HG ' HD21 ' A' ' 62' ' ' LEU . 22.3 Cg_endo -60.48 -13.71 26.68 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.648 2.898 . . . . 0.0 113.825 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.15 -38.14 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.702 0.287 . . . . 0.0 110.49 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -91.29 -16.2 27.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 0.0 110.465 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.431 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 85.2 t -76.61 109.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.103 0.477 . . . . 0.0 110.25 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -87.21 168.71 12.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.547 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.63 ' HD1' ' CD2' ' A' ' 29' ' ' PHE . 79.2 m-85 -55.96 -45.41 78.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -177.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -60.61 -38.69 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.93 -49.37 52.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.456 ' SD ' HD12 ' A' ' 15' ' ' LEU . 11.0 tmm? -60.79 -43.34 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.14 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -55.3 -33.6 63.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.238 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.52 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.7 tp60 -71.79 -52.12 19.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.104 0.478 . . . . 0.0 110.599 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -70.12 -33.07 71.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.373 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 HD11 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.32 -30.71 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 176.644 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -72.58 -24.84 61.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.332 0.586 . . . . 0.0 109.853 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.39 20.43 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 67.8 mt -90.37 133.07 35.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.74 -26.68 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 109.85 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.35 -18.25 46.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.537 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.656 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 50.3 t80 -78.82 135.14 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 175.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -165.61 83.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.99 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.511 '2HB ' ' HA ' ' A' ' 4' ' ' LYS . 60.2 t0 -135.01 -90.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.59 104.72 3.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.558 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.63 -4.71 15.61 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.281 1.988 . . . . 0.0 112.277 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -90.57 -28.55 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.197 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.96 -101.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.044 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.0 p 46.15 61.69 2.6 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.195 0.598 . . . . 0.0 112.038 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -75.36 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.41 -46.69 66.41 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -57.3 -40.42 77.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.658 0.266 . . . . 0.0 111.26 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.92 -49.35 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.355 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.01 -37.11 85.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.528 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.2 tt0 -59.14 -48.15 82.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.659 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.79 74.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.79 -36.5 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.762 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.75 -38.29 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.0 mt -58.41 -48.96 78.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.904 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.562 HG11 ' HA3' ' A' ' 12' ' ' GLY . 14.9 p -68.01 -30.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -67.65 -37.44 82.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD21 '2HG ' ' A' ' 24' ' ' PRO . 95.3 mt -61.43 -31.08 71.01 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.911 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.64 -43.55 59.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.36 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.91 -50.53 14.76 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.52 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.99 58.48 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.228 0.537 . . . . 0.0 110.655 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.438 -178.072 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.597 ' HE3' '2HE ' ' A' ' 4' ' ' LYS . 59.6 mtm . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.22 -150.9 5.44 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.56 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 78.0 mt -60.51 110.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 110.051 174.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.597 '2HE ' ' HE3' ' A' ' 1' ' ' MET . 1.9 mmmp? -91.07 153.93 19.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.843 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -64.3 -20.65 66.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.954 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -77.88 -24.47 48.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.138 0.494 . . . . 0.0 110.755 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.85 47.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.989 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 p -53.41 -38.41 63.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.179 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -66.62 -48.23 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.58 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.65 -32.68 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.931 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -74.96 -40.81 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.49 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -57.65 -37.79 84.87 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.192 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.46 -43.8 88.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.575 0.226 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.59 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.94 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD12 ' SD ' ' A' ' 32' ' ' MET . 45.5 mt -64.79 -43.42 93.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.699 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.66 ' HE2' ' CE1' ' A' ' 16' ' ' TYR . 50.4 t80 -70.15 -30.81 68.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.993 178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.22 -36.56 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.32 -38.69 18.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.38 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.9 75.38 76.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.825 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.78 -36.98 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.664 2.243 . . . . 0.0 112.433 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -90.73 -0.42 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.259 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -89.51 130.98 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.12 112.33 7.99 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.941 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.409 '2HB ' HD21 ' A' ' 62' ' ' LEU . 58.3 Cg_endo -73.67 -19.48 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.659 2.24 . . . . 0.0 113.075 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -67.52 -42.04 83.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.094 0.473 . . . . 0.0 110.53 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -87.43 24.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.208 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.85 117.65 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 0.0 110.151 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -76.64 157.04 32.17 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.661 ' HD1' ' CD2' ' A' ' 29' ' ' PHE . 35.1 m-85 -58.34 -32.24 68.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.424 178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -62.02 -46.08 90.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -60.42 -51.87 67.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.225 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.488 ' HE2' HD23 ' A' ' 54' ' ' LEU . 10.1 tmm? -61.68 -44.69 96.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.848 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -54.55 -38.04 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -51.59 38.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.914 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -67.2 -39.93 86.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.925 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.05 -31.68 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.9 t -69.19 -31.87 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.82 21.02 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.469 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.684 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 50.4 mt -77.62 129.15 35.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.33 -12.32 61.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.284 0.564 . . . . 0.0 110.283 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.02 -18.47 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.364 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HA ' '2HB ' ' A' ' 3' ' ' LEU . 47.4 t80 -79.39 136.49 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -165.42 92.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.734 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -149.16 -97.35 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.136 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.19 111.45 4.37 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.68 -24.94 24.88 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.002 2.468 . . . . 0.0 114.36 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -99.39 -7.3 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.68 -53.46 18.51 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.796 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 m -21.43 81.86 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 125.596 1.81 . . . . 0.0 114.494 -168.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.54 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 42.4 m-80 -67.49 150.86 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.996 171.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -55.38 -49.13 73.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.695 0.283 . . . . 0.0 110.666 -177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -67.27 -17.7 64.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.59 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 13.3 mm -70.73 -48.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.448 0.642 . . . . 0.0 109.302 171.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.488 HD23 ' HE2' ' A' ' 32' ' ' MET . 57.1 mt -72.9 -20.26 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.328 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.7 tp10 -52.68 -53.59 45.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.278 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.71 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.06 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mt -72.59 -30.82 35.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.601 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -77.56 -37.17 51.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.509 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.4 mt -62.37 -46.06 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.179 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG11 ' HA3' ' A' ' 12' ' ' GLY . 8.0 p -65.99 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.271 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -62.33 -48.75 78.43 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 HD21 '2HB ' ' A' ' 24' ' ' PRO . 95.4 mt -55.9 -53.52 55.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.63 -32.3 70.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.76 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -86.6 -47.01 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.98 -35.77 59.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.752 -175.291 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttm . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.943 0.402 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.47 -140.43 5.89 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 174.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.02 126.28 27.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.674 0.273 . . . . 0.0 110.566 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -86.6 158.83 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -67.43 -21.33 65.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.344 0.592 . . . . 0.0 109.751 175.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -73.06 -21.06 60.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.284 175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -86.06 48.13 1.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.543 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.9 p -57.4 -30.17 64.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.928 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' NH1' ' HB ' ' A' ' 60' ' ' VAL . 8.9 tpp180 -68.99 -50.59 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -68.69 -30.3 68.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.933 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -68.47 -43.51 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.479 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -59.67 -40.91 97.1 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.549 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.35 -44.79 88.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 110.511 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.94 83.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.338 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.15 -38.24 78.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.42 -36.24 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.78 -43.59 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.865 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.48 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.614 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.612 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 75.6 m-85 -129.4 76.22 79.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.74 -28.1 5.5 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.466 2.111 . . . . 0.0 113.098 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.91 -1.96 57.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.921 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.6 tt -89.58 120.35 30.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.806 -175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 26' ' ' THR . 12.1 t70 -61.09 120.49 54.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.228 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.565 '2HB ' HD21 ' A' ' 62' ' ' LEU . 49.3 Cg_endo -68.49 -15.26 41.48 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.695 2.263 . . . . 0.0 113.178 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -84.12 -24.22 30.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.319 . . . . 0.0 110.93 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 23' ' ' ASP . 8.0 t -88.09 -4.0 58.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.34 0.591 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -90.49 114.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -99.12 175.38 5.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -57.6 -49.29 76.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m -68.8 -40.78 79.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.979 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.69 -47.89 84.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.242 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.465 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 25.8 ttp -63.15 -38.08 89.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.304 178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.425 ' HA ' HG23 ' A' ' 36' ' ' ILE . 56.9 t-80 -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.927 -178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -68.22 -43.71 77.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.152 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -70.87 -44.52 66.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.676 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.13 -29.54 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.14 -176.57 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 t -67.09 -32.45 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.745 0.307 . . . . 0.0 110.868 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.81 16.47 19.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 51.9 mt -76.62 135.3 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.088 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.48 -28.02 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.59 -19.25 60.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.342 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -90.12 126.13 35.68 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.83 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -152.85 81.72 1.22 Allowed 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 45' ' ' ASP . 15.3 t70 -160.1 -151.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.472 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.488 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 18.7 m-20 -93.2 103.49 9.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.115 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.18 -1.39 11.52 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.909 2.406 . . . . 0.0 112.348 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.15 -9.43 56.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.153 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.42 -100.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.3 p 42.83 62.38 1.79 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.783 0.677 . . . . 0.0 112.493 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.42 167.63 2.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.36 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.41 -49.55 72.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.968 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.662 '2HE ' ' HA ' ' A' ' 52' ' ' LYS . 10.7 mmpt? -57.07 -37.48 71.92 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.526 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.4 mm -64.57 -50.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.477 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.91 -33.7 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.638 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.6 tt0 -59.08 -44.33 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.465 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 66.8 mt -72.28 -32.59 43.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.396 0.617 . . . . 0.0 110.441 178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.787 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 88.8 mt -62.88 -46.02 89.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.692 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.479 HG11 ' HA3' ' A' ' 12' ' ' GLY . 4.2 p -64.26 -37.73 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.595 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -61.53 -44.49 96.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.565 HD21 '2HB ' ' A' ' 24' ' ' PRO . 93.0 mt -55.58 -55.68 29.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.091 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.65 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.785 -172.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -75.88 -31.72 59.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.13 -47.71 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -174.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.202 -174.711 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.816 0.341 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.33 -144.95 6.55 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.514 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 93.9 mt -60.73 135.73 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.687 ' HA ' '2HB ' ' A' ' 44' ' ' ASP . 29.2 mmtp -99.32 161.87 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.418 ' CE2' ' HZ ' ' A' ' 42' ' ' PHE . 60.0 m95 -62.26 -19.41 63.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -84.03 -10.64 57.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.928 0.394 . . . . 0.0 111.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.0 51.1 1.98 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.208 0.528 . . . . 0.0 109.734 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' HG12 ' A' ' 60' ' ' VAL . 26.4 p -57.28 -37.34 72.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.581 -173.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.619 ' HA ' HG22 ' A' ' 60' ' ' VAL . 53.7 ttp180 -62.93 -50.39 71.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.16 -177.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -64.94 -34.38 78.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.59 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.2 mt -69.63 -41.14 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 178.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.469 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -62.44 -43.39 99.11 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.075 -0.584 . . . . 0.0 111.852 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.81 -38.5 88.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.96 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.43 -40.94 89.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.042 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.88 -32.9 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.02 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.12 -45.78 55.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 -31.57 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.803 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.64 ' HE2' ' CE1' ' A' ' 19' ' ' TYR . 78.6 m-85 -128.99 69.08 80.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.72 0.295 . . . . 0.0 111.012 -178.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.69 -11.33 16.95 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.499 2.132 . . . . 0.0 112.394 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.34 -15.03 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.4 mt -91.53 107.3 19.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.96 127.41 93.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.297 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.464 '2HG ' HD21 ' A' ' 62' ' ' LEU . 26.1 Cg_endo -62.63 -9.1 14.82 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.164 2.576 . . . . 0.0 113.976 -173.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -78.92 -24.87 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -88.46 -25.32 22.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.4 t -86.14 117.98 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -92.82 169.04 10.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -55.66 -41.28 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.183 0.302 . . . . 0.0 110.527 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -53.42 -50.3 65.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.76 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.1 -40.84 59.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -58.64 -37.7 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.311 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -62.01 -35.18 77.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.93 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.51 -58.91 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 0.0 110.276 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -64.94 -39.91 94.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.204 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.525 ' O ' HD11 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -69.12 -30.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -177.671 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -77.58 -26.3 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.43 3.08 45.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.579 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.401 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 70.6 mt -70.09 121.41 17.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.67 -23.6 61.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.53 -19.34 45.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.061 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.656 ' HD1' ' CD2' ' A' ' 42' ' ' PHE . 78.0 t80 -91.55 131.0 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.423 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -163.43 92.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.12 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.687 '2HB ' ' HA ' ' A' ' 4' ' ' LYS . 51.3 t0 -131.15 -82.16 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.247 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -147.54 113.31 4.04 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.985 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 -20.2 29.68 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.453 2.102 . . . . 0.0 113.51 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -90.19 -37.1 14.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.998 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.91 116.9 22.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.188 0.518 . . . . 0.0 110.796 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 56.96 0.87 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 94.2 m-20 -51.59 153.24 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.887 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -49.8 -48.42 50.7 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -54.53 -42.26 70.67 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.845 0.355 . . . . 0.0 111.536 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 39.1 mm -56.01 -53.62 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.927 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.58 -30.58 63.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.802 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.7 tt0 -61.11 -46.96 88.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.729 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.97 74.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 59.2 mt -72.51 -37.5 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.7 mt -62.15 -43.89 97.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.501 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 9' ' ' ARG . 12.8 p -73.0 -27.97 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.686 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -66.1 -44.59 83.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.464 HD21 '2HG ' ' A' ' 24' ' ' PRO . 84.3 mt -59.95 -33.89 72.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.424 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.04 -46.22 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.574 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.15 -45.38 49.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.491 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.52 54.12 2.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.32 0.581 . . . . 0.0 110.731 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.665 178.013 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HE3' '2HE ' ' A' ' 4' ' ' LYS . 95.8 mmm . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.29 -146.15 4.46 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.511 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 91.1 mt -61.97 126.02 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.616 '2HD ' ' OD2' ' A' ' 44' ' ' ASP . 16.9 mmtp -93.37 163.32 13.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.321 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -71.01 -28.5 64.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 p -77.52 -18.33 57.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.448 ' OD1' '2HB ' ' A' ' 4' ' ' LYS . 4.7 m-20 -90.54 44.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.835 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.8 p -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.706 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.8 -47.72 82.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 110.063 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.07 -35.26 80.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.096 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 HD12 ' A' ' 36' ' ' ILE . 61.1 mt -71.68 -38.29 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.82 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.598 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -56.5 -47.24 85.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.252 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.593 0.235 . . . . 0.0 110.86 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.47 74.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.081 0.467 . . . . 0.0 110.356 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.86 -38.46 86.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.689 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.59 -37.78 88.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.869 0.366 . . . . 0.0 111.044 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.1 -36.19 72.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.853 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -45.72 43.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.058 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -125.24 72.57 65.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 -32.71 3.83 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.277 1.984 . . . . 0.0 112.689 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -90.63 0.78 57.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.434 HD21 ' N ' ' A' ' 23' ' ' ASP . 4.1 tt -89.25 131.48 35.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.434 ' N ' HD21 ' A' ' 22' ' ' LEU . 12.3 t70 -66.77 111.3 6.59 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.53 -6.64 17.2 Favored 'Trans proline' 0 CA--C 1.528 0.203 0 C-N-CA 122.447 2.098 . . . . 0.0 112.78 -175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -84.27 -27.46 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.787 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 t -90.05 -2.33 58.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.001 177.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -83.98 114.56 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -88.54 172.13 9.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.59 -42.56 99.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.821 0.343 . . . . 0.0 110.484 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.1 m -59.03 -48.49 81.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.16 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.62 -46.95 80.43 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.195 0.521 . . . . 0.0 110.121 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.526 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 16.9 ttp -59.44 -38.51 80.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.337 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.63 ' HA ' HG21 ' A' ' 36' ' ' ILE . 14.1 t-80 -63.34 -29.19 70.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -69.11 -38.73 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.57 -43.1 16.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG21 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -66.14 -33.0 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -176.135 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.5 t -76.81 -15.65 59.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 0.0 110.624 -177.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -106.81 9.39 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.569 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 81.3 mt -66.74 144.17 56.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.811 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -75.61 -22.09 57.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.425 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -95.78 -15.64 22.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.178 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.66 ' HD1' ' CD2' ' A' ' 42' ' ' PHE . 56.7 t80 -78.53 136.43 37.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.23 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' OD2' ' HA ' ' A' ' 1' ' ' MET . 33.9 t70 -167.74 102.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.42 174.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.616 ' OD2' '2HD ' ' A' ' 4' ' ' LYS . 16.1 t70 -151.13 -87.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.855 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -146.87 115.78 4.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -72.98 -27.4 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.528 2.152 . . . . 0.0 111.865 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.76 35.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.829 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.56 -103.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.993 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.404 '2HB ' HD22 ' A' ' 54' ' ' LEU . 12.3 p 44.48 64.6 1.28 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -55.58 150.8 11.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 170.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.525 -172.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -66.1 -34.61 78.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.4 mm -69.15 -47.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.582 0.706 . . . . 0.0 109.456 176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD22 '2HB ' ' A' ' 49' ' ' SER . 65.9 mt -61.66 -31.89 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.497 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.5 tt0 -58.4 -48.27 81.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.813 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.92 78.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.526 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 58.2 mt -71.74 -39.96 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.295 0.569 . . . . 0.0 110.311 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 HD11 ' HG ' ' A' ' 62' ' ' LEU . 1.1 tm? -67.97 -38.07 82.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.785 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -62.9 -47.65 82.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.598 HG11 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -66.49 -31.54 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.751 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -65.0 -48.33 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HG ' HD11 ' A' ' 58' ' ' LEU . 82.6 mt -57.44 -48.36 79.37 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.183 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.99 -39.42 74.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.811 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.3 -41.66 60.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.757 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.45 -49.42 6.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.391 -174.355 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.896 0.379 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.16 -129.18 1.04 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.36 113.85 5.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 172.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -92.32 161.52 14.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.494 ' CE3' ' HA ' ' A' ' 5' ' ' TRP . 3.3 m95 -66.06 -12.17 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -85.98 -16.84 37.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -89.8 47.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.821 -178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 p -51.75 -39.33 58.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.407 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.573 ' HA ' HG22 ' A' ' 60' ' ' VAL . 16.0 ttt180 -72.09 -48.43 44.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.654 0.264 . . . . 0.0 110.461 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.55 -25.51 68.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 67.0 mt -78.08 -42.93 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.098 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.13 97.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.856 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.48 -42.18 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.653 0.264 . . . . 0.0 110.802 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.36 84.83 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.14 0.495 . . . . 0.0 110.751 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 58.3 mt -64.2 -47.94 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.797 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.661 ' HD1' ' CD2' ' A' ' 16' ' ' TYR . 40.3 t80 -62.75 -44.19 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.172 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.15 -41.16 82.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.394 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.25 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.707 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -124.66 72.39 60.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.331 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.15 -12.43 15.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.092 1.861 . . . . 0.0 111.221 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.18 -6.63 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.48 130.15 56.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.434 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -84.63 123.52 74.27 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -64.62 -10.85 26.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.042 2.495 . . . . 0.0 111.927 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -60.43 -45.7 92.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.442 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -90.25 -5.61 56.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.143 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.2 t -81.77 118.68 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -85.53 166.58 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.91 177.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -60.95 -38.58 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.99 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -57.38 -43.02 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.64 -44.95 55.54 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.29 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.235 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' HA ' HG23 ' A' ' 36' ' ' ILE . 17.8 t-80 -61.94 -31.92 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.14 -45.45 81.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.203 0.525 . . . . 0.0 109.693 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -74.43 -42.5 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.052 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.561 HG23 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -63.18 -33.95 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.712 -178.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 m -75.1 -21.1 59.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.039 0.447 . . . . 0.0 110.98 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -87.99 -10.82 49.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.359 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 68.7 mt -67.29 127.48 32.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.155 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.55 -18.98 58.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.57 -20.23 60.02 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.443 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.649 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 50.8 t80 -85.31 133.79 34.13 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.929 175.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.36 74.08 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.744 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -139.29 -90.48 0.19 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -145.86 109.87 4.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 122.319 -0.238 . . . . 0.0 110.695 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.99 -5.21 15.69 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.245 1.963 . . . . 0.0 113.391 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -100.67 -38.32 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.282 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.04 58.67 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.311 0.577 . . . . 0.0 111.252 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 m -101.96 55.36 0.8 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -60.75 157.3 15.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.613 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.27 -43.86 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -169.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.446 '2HD ' ' O ' ' A' ' 52' ' ' LYS . 1.9 tmmm? -52.14 -43.37 64.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.019 0.438 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.56 -59.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.139 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.31 -29.25 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.433 -174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -61.97 -52.75 62.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.491 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 60' ' ' VAL . . . -57.97 -36.91 73.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.945 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -39.29 92.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.292 -178.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.6 mt -58.91 -41.17 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 9' ' ' ARG . 80.6 t -61.37 -46.78 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.459 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -60.83 -42.69 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.29 -30.06 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.228 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -82.4 -36.44 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.549 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -85.86 -21.18 28.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.15 15.77 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.588 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.356 177.82 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.37 6.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.876 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.596 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 95.8 mt -74.04 129.1 37.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.905 0.383 . . . . 0.0 110.802 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' CD ' '2HB ' ' A' ' 44' ' ' ASP . 67.3 mmtt -105.2 174.15 6.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 171.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -71.64 -19.3 62.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.487 0.66 . . . . 0.0 109.516 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 m -67.37 -24.85 65.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.213 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -90.44 41.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -59.55 -30.84 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.754 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -70.2 -49.83 46.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.547 . . . . 0.0 109.762 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -59.97 -38.96 84.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.444 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.456 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.7 mt -66.78 -39.42 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.554 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -59.67 -42.37 97.84 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.857 176.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.47 -41.91 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.16 76.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.141 0.496 . . . . 0.0 111.043 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 54.7 mt -65.06 -44.09 90.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.403 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.644 ' HE2' ' CE1' ' A' ' 16' ' ' TYR . 58.8 t80 -71.73 -27.83 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.02 -37.26 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.24 -36.7 46.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.343 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -129.53 70.84 82.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.304 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.2 -29.55 4.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.124 1.883 . . . . 0.0 111.898 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.71 46.22 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.818 0.818 . . . . 0.0 109.915 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.93 132.78 15.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.612 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.33 118.55 72.22 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.3 . . . . 0.0 110.497 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.538 '2HG ' HD21 ' A' ' 62' ' ' LEU . 40.2 Cg_endo -69.2 -4.98 14.75 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.535 2.157 . . . . 0.0 112.317 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.82 -31.62 25.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.779 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -82.26 -24.69 34.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.131 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.0 123.7 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.74 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -95.59 177.13 5.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.621 ' HD2' ' CD1' ' A' ' 29' ' ' PHE . 96.5 m-85 -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.911 -176.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -68.34 -35.23 77.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -68.38 -47.55 67.06 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.996 0.427 . . . . 0.0 110.025 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.44 ' SD ' HD12 ' A' ' 15' ' ' LEU . 13.8 tmm? -62.97 -44.17 96.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.677 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.614 ' HA ' HG23 ' A' ' 36' ' ' ILE . 61.1 t-80 -61.48 -32.81 72.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -58.46 -49.16 78.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 0.0 110.171 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -73.83 -43.09 59.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.824 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.45 -23.79 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 -177.708 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 t -72.32 -28.62 63.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.88 18.07 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.549 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.684 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 33.8 mt -63.34 116.68 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.68 -34.15 70.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.581 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.41 ' OD2' ' HG ' ' A' ' 3' ' ' LEU . 36.4 t70 -82.13 -17.42 46.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.433 . . . . 0.0 110.96 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.596 ' HA ' '2HB ' ' A' ' 3' ' ' LEU . 86.8 t80 -77.65 130.95 37.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -152.62 90.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.884 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.464 '2HB ' ' CD ' ' A' ' 4' ' ' LYS . 32.8 t70 -152.55 -94.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.537 173.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.32 106.55 4.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.633 0.254 . . . . 0.0 110.462 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.32 -27.33 84.66 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.924 2.416 . . . . 0.0 114.067 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -97.01 -0.41 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -172.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.05 28.15 1.24 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -77.02 67.58 3.03 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.608 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.512 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 64.9 m-20 -54.07 157.15 2.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.613 173.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -52.73 -56.82 12.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.613 0.244 . . . . 0.0 111.584 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -68.15 -21.04 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.256 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.512 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.55 -54.85 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.49 -34.47 74.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.632 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.4 tt0 -58.73 -50.43 73.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.47 73.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 111.145 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.64 -35.58 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.82 -39.24 64.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.792 179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.682 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG11 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -67.15 -32.22 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -63.91 -47.31 81.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.538 HD21 '2HG ' ' A' ' 24' ' ' PRO . 96.1 mt -58.24 -43.06 87.6 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.933 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.04 -34.02 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.674 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -86.32 -22.12 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.461 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -88.81 -58.0 2.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.915 -171.786 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.78 ' HA ' '2HB ' ' A' ' 41' ' ' ASP . 27.0 ptt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.61 27.67 3.49 Favored Glycine 0 N--CA 1.437 -1.27 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.24 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.37 119.98 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.956 0.407 . . . . 0.0 111.271 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -92.15 151.32 20.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.448 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 84.9 m95 -66.4 -16.43 64.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.611 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -77.5 -6.95 55.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -106.77 48.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.924 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -63.26 -27.53 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.784 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -73.72 -45.85 49.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.5 mp0 -56.61 -44.97 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.468 174.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.71 -35.97 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.44 -40.17 95.8 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.941 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.47 -46.48 89.93 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.5 -46.2 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.319 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -68.15 -47.32 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.626 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 53.0 t80 -69.72 -31.71 69.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.0 111.195 -175.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -78.29 -38.18 43.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.695 0.283 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.35 55.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.834 0.35 . . . . 0.0 111.113 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.64 68.64 74.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.221 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -18.56 14.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.008 1.805 . . . . 0.0 111.648 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -90.88 6.64 43.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.351 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -108.6 134.42 51.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.122 0.487 . . . . 0.0 110.893 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' O ' HG21 ' A' ' 27' ' ' VAL . 13.7 t70 -85.37 122.39 73.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.164 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.02 -15.72 51.89 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.806 2.337 . . . . 0.0 113.12 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -84.09 -31.27 25.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.705 0.288 . . . . 0.0 110.96 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 t -87.11 -17.81 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.756 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 23' ' ' ASP . 91.6 t -82.2 105.58 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -86.7 177.4 7.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.232 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.587 0.232 . . . . 0.0 110.864 -176.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -36.28 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.503 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.74 -49.03 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.405 ' HE3' ' HB ' ' A' ' 57' ' ' ILE . 9.1 tmm? -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.995 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.5 -35.55 63.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.734 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.5 -51.88 15.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.008 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -61.91 -47.21 85.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.966 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.493 ' O ' HD11 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -65.97 -35.39 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.829 -176.425 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 84.5 m -79.08 -11.89 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.062 0.458 . . . . 0.0 110.922 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -96.36 -4.64 41.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.369 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 '2HB ' ' CB ' ' A' ' 42' ' ' PHE . 80.7 mt -60.46 141.16 56.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.364 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.15 -36.97 80.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.356 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.78 '2HB ' ' HA ' ' A' ' 1' ' ' MET . 12.4 p-10 -96.57 -2.65 44.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.663 ' HE1' ' CE2' ' A' ' 42' ' ' PHE . 58.1 t80 -77.65 117.26 18.89 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.507 169.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -161.53 83.89 0.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -144.7 -80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.016 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.32 103.42 4.34 Favored Pre-proline 0 C--N 1.33 -0.25 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.088 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.54 2.25 8.52 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.946 2.431 . . . . 0.0 113.037 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -104.42 -35.34 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.41 13.79 9.28 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 p -76.6 53.62 0.89 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.701 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -61.49 166.18 4.26 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.924 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.34 -45.81 80.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -69.25 -29.73 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.407 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 0.0 109.813 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.41 -35.61 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.378 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.5 tt0 -61.5 -44.14 97.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.61 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' HB ' ' HE3' ' A' ' 32' ' ' MET . 52.8 mt -79.91 -29.83 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.497 179.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -37.19 63.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.807 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.7 mt -61.62 -41.84 98.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.796 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.42 -33.42 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -64.07 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.6 -46.17 89.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.433 178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.82 -37.99 73.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.627 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.58 -20.8 58.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.0 -62.33 1.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.502 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.388 -178.409 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 1.9 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -130.66 -130.59 3.21 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 119.923 -1.132 . . . . 0.0 111.741 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.568 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 96.1 mt -66.56 102.36 0.89 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.956 0.408 . . . . 0.0 110.796 177.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -91.86 154.09 19.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.515 176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -61.31 -25.33 67.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.528 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -6.87 59.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.08 0.467 . . . . 0.0 111.247 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -107.91 45.08 1.03 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.221 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -57.65 -30.46 65.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.563 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -66.16 -46.64 76.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.6 -36.59 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.042 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.411 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 61.2 mt -69.0 -39.78 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.636 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -58.11 -47.54 88.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.086 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.98 -35.92 81.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.446 0.165 . . . . 0.0 110.673 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.34 90.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.19 0.519 . . . . 0.0 110.847 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 37.5 mt -68.35 -39.72 81.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.961 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -70.62 -33.45 71.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.83 -41.24 75.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 -35.33 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.65 78.44 74.88 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.482 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.25 -35.63 2.22 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.839 2.359 . . . . 0.0 112.486 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.86 -3.02 59.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -89.82 120.66 31.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.186 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.535 ' OD2' '2HB ' ' A' ' 25' ' ' LYS . 18.8 t70 -75.49 119.29 76.35 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.86 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.513 '2HG ' HD21 ' A' ' 62' ' ' LEU . 39.4 Cg_endo -66.65 -10.96 29.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.06 2.507 . . . . 0.0 113.387 -175.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.535 '2HB ' ' OD2' ' A' ' 23' ' ' ASP . 49.1 mttm -83.87 -24.7 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -88.62 -7.62 56.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 110.259 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.29 105.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.892 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -87.39 169.31 12.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.601 ' HD2' ' CD1' ' A' ' 29' ' ' PHE . 77.6 m-85 -57.38 -38.36 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 0.0 111.208 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -64.66 -42.69 95.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.284 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.51 ' HA ' HE21 ' A' ' 34' ' ' GLN . 10.0 m-20 -65.51 -50.26 65.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.16 0.505 . . . . 0.0 109.89 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -59.55 -39.11 82.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.6 ' HA ' HG23 ' A' ' 36' ' ' ILE . 34.5 t-80 -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.51 HE21 ' HA ' ' A' ' 31' ' ' ASP . 45.8 mt-30 -65.7 -39.12 90.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.688 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -86.5 -37.44 18.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.83 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.632 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.16 -35.87 65.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.679 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.13 -12.73 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.276 0.56 . . . . 0.0 110.241 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -115.55 24.79 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.978 0.894 . . . . 0.0 109.576 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.662 '2HB ' '2HB ' ' A' ' 42' ' ' PHE . 63.6 mt -75.87 137.63 40.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.965 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.96 -34.32 77.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.246 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -92.5 -10.97 35.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.21 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.662 '2HB ' '2HB ' ' A' ' 39' ' ' LEU . 76.2 t80 -61.88 127.39 31.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.545 ' OD2' ' HA ' ' A' ' 1' ' ' MET . 25.9 t70 -148.34 79.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.587 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -170.05 172.49 6.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.12 107.29 4.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 122.796 0.438 . . . . 0.0 111.779 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -69.71 -9.18 25.5 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.125 2.55 . . . . 0.0 113.348 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.1 -36.97 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.31 24.82 0.42 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.388 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.424 '2HB ' HD22 ' A' ' 54' ' ' LEU . 55.4 p -76.52 65.78 2.41 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.524 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.1 m-80 -54.28 155.55 3.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.479 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.51 -50.0 73.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -172.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.86 -19.49 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.357 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.524 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 30.5 mm -67.85 -54.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.424 HD22 '2HB ' ' A' ' 49' ' ' SER . 59.5 mt -65.45 -33.33 75.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.315 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -57.59 -48.92 78.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.681 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.61 79.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.5 -43.0 87.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.06 -41.08 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -61.03 -46.44 90.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.514 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.636 HG11 ' HA3' ' A' ' 12' ' ' GLY . 7.4 p -69.57 -29.79 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.924 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -63.41 -46.84 84.54 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.513 HD21 '2HG ' ' A' ' 24' ' ' PRO . 89.6 mt -56.4 -43.36 79.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.594 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.51 -38.91 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.894 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.63 -31.92 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.428 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.89 -36.3 42.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.699 -175.779 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 ttm . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.871 0.367 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.57 -134.6 2.17 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD11 HG12 ' A' ' 11' ' ' ILE . 94.7 mt -59.79 133.08 55.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.958 0.409 . . . . 0.0 111.464 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -91.18 152.46 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.646 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -71.19 -12.2 61.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.888 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -101.44 6.97 42.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.511 0.672 . . . . 0.0 110.334 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.44 64.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.372 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.4 p -62.48 -38.32 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.907 -170.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.67 ' HA ' HG22 ' A' ' 60' ' ' VAL . 48.0 ttt85 -66.13 -47.73 73.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.294 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.561 HG12 HD11 ' A' ' 3' ' ' LEU . 60.1 mt -82.05 -40.1 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.964 0.412 . . . . 0.0 110.479 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.549 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -58.96 -44.86 95.9 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.88 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.17 -36.44 84.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.424 0.154 . . . . 0.0 110.911 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.49 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.385 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.403 HD12 ' SD ' ' A' ' 32' ' ' MET . 35.2 mt -65.58 -43.48 89.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.921 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.603 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 75.4 t80 -63.79 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.64 -41.86 65.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.166 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.606 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 36.5 m-85 -125.6 77.39 69.39 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.0 -32.85 3.02 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.878 2.385 . . . . 0.0 112.429 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -89.95 -1.03 57.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.235 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 tt -102.22 118.1 36.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -79.37 124.93 83.95 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.423 '2HG ' HD21 ' A' ' 62' ' ' LEU . 19.3 Cg_endo -59.54 -17.21 40.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.15 2.566 . . . . 0.0 111.916 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.28 -34.22 76.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.333 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -91.3 7.77 39.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.613 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t -103.09 123.19 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.059 0.457 . . . . 0.0 110.69 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -93.53 172.54 8.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.845 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.91 -38.51 91.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.844 0.354 . . . . 0.0 110.819 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.461 ' O ' '2HG ' ' A' ' 34' ' ' GLN . 20.8 p -63.09 -36.67 84.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.208 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.65 -53.62 13.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.052 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.403 ' SD ' HD12 ' A' ' 15' ' ' LEU . 8.5 tmm? -59.52 -39.23 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.184 -177.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -54.59 -37.38 65.48 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.461 '2HG ' ' O ' ' A' ' 30' ' ' THR . 11.5 mm100 -78.08 -41.73 34.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.038 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 36.7 m0 -69.75 -39.15 76.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.292 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -73.42 -33.25 39.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 -179.697 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -70.16 -22.45 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 111.058 -177.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.82 30.23 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.361 0.601 . . . . 0.0 110.59 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.607 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 58.7 mt -80.89 136.71 36.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.8 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.03 -32.22 73.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.08 -18.23 37.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.018 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.421 ' CB ' '2HB ' ' A' ' 39' ' ' LEU . 72.5 t80 -88.31 136.12 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -170.3 74.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.58 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -129.03 -81.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.128 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -145.1 98.46 4.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.96 -11.27 19.8 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.751 2.301 . . . . 0.0 113.512 -175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -102.65 -23.44 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.423 ' C ' ' HG ' ' A' ' 49' ' ' SER . . . -72.55 -93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 174.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 48' ' ' ALA . 11.4 p 43.83 63.31 1.63 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.404 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 37.8 m-80 -59.0 161.16 5.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.66 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.37 -50.3 62.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -55.36 -31.03 61.43 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.404 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 41.1 mm -68.54 -55.4 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.05 -36.38 81.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.593 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.7 tt0 -63.32 -46.19 87.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.31 81.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.872 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.24 -33.0 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.527 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.3 tm? -71.01 -40.31 71.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 94.2 mt -62.58 -41.73 99.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 9' ' ' ARG . 13.9 p -71.32 -31.77 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.425 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -64.71 -42.85 94.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.3 mt -60.79 -41.35 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.642 176.04 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.57 -37.44 82.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.017 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.08 -16.29 56.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.528 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.6 -50.05 6.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.401 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.034 0.445 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.23 -126.64 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 HD11 HG12 ' A' ' 11' ' ' ILE . 92.8 mt -76.01 134.66 40.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.605 '2HG ' ' OD2' ' A' ' 7' ' ' ASP . 4.7 mmtm -95.98 173.31 7.5 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -74.76 -19.07 60.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.525 . . . . 0.0 110.387 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -80.31 -12.13 59.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.139 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.605 ' OD2' '2HG ' ' A' ' 4' ' ' LYS . 93.8 m-20 -86.22 52.4 2.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.288 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.411 ' O ' HG12 ' A' ' 60' ' ' VAL . 6.9 p -62.79 -29.4 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.597 -176.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -73.88 -55.02 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 109.841 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -58.51 -39.88 81.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.802 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 HD11 HD12 ' A' ' 36' ' ' ILE . 50.2 mt -70.96 -42.95 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -57.86 -45.9 93.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.225 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.456 '2HG ' ' OE2' ' A' ' 64' ' ' GLU . 42.8 mt-10 -65.67 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.45 84.49 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.178 0.513 . . . . 0.0 111.371 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.17 -39.9 75.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.776 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -72.39 -24.3 61.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.294 0.568 . . . . 0.0 109.8 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -66.02 -54.45 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.578 175.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.64 72.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.365 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -128.54 73.04 80.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.656 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 -38.42 3.57 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.347 2.031 . . . . 0.0 112.423 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.09 31.17 1.12 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tt -122.99 121.72 36.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' HA ' '2HD ' ' A' ' 24' ' ' PRO . 9.6 m-20 -78.71 118.56 73.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.501 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.649 '2HG ' HD21 ' A' ' 62' ' ' LEU . 24.0 Cg_endo -62.99 -10.85 21.97 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.987 2.458 . . . . 0.0 111.942 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -54.8 -46.07 74.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.588 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 p -92.19 9.46 33.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.051 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.09 114.03 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.329 . . . . 0.0 110.796 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -94.3 179.74 5.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.404 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.623 ' HD1' ' CD2' ' A' ' 29' ' ' PHE . 25.0 m-85 -62.33 -43.72 98.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -172.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.561 ' O ' '2HG ' ' A' ' 34' ' ' GLN . 83.6 m -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.126 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.8 -48.21 81.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.218 0.532 . . . . 0.0 110.335 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.1 ttp -61.31 -36.89 81.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.007 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.654 ' HA ' HG21 ' A' ' 36' ' ' ILE . 33.7 t-80 -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.561 '2HG ' ' O ' ' A' ' 30' ' ' THR . 31.6 mm-40 -60.65 -44.44 96.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.223 0.535 . . . . 0.0 110.181 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -84.43 -38.96 19.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.269 -174.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.654 HG21 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -71.22 -31.13 43.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.277 -176.369 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.8 t -72.97 -20.11 61.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 0.0 110.356 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.69 37.82 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.678 0.751 . . . . 0.0 110.166 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.541 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 60.4 mt -90.45 157.76 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.453 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.44 -29.55 24.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.733 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.06 -17.59 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.167 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -92.19 131.4 37.46 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.773 -178.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -170.85 97.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.104 172.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.73 -76.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.864 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -145.7 104.53 4.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.154 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.57 -5.71 17.53 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.361 2.041 . . . . 0.0 113.766 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -104.61 -22.2 13.29 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m 54.74 63.74 2.04 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.799 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.578 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 75.1 m-20 -59.3 154.38 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.665 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.92 -47.94 81.38 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.57 -176.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -67.97 -24.73 65.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 0.0 111.013 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.578 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 17.9 mm -60.82 -57.06 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.684 172.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.38 -33.01 74.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.1 tt0 -57.47 -50.61 72.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.003 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.85 -38.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.292 0.568 . . . . 0.0 110.568 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -67.94 -39.6 83.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.845 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 72.1 mt -64.99 -40.88 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.744 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.484 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 8.7 p -71.52 -32.74 47.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -64.85 -42.64 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.649 HD21 '2HG ' ' A' ' 24' ' ' PRO . 64.0 mt -54.44 -50.9 66.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.21 173.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.55 -31.43 56.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.541 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' OE2' '2HG ' ' A' ' 13' ' ' GLU . 51.0 mt-10 -86.0 -26.46 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.352 . . . . 0.0 111.523 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.93 -27.81 18.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.528 '2HG ' ' O ' ' A' ' 62' ' ' LEU . 12.6 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.188 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.514 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 71.2 mtm . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 121.327 0.584 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.59 -118.38 3.16 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.58 139.27 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -105.61 154.11 20.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.213 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -56.79 -31.45 64.68 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.365 . . . . 0.0 111.374 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -65.38 -27.64 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.21 60.56 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.462 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.455 ' O ' HG12 ' A' ' 60' ' ' VAL . 6.5 p -59.96 -36.01 76.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.039 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.702 ' HA ' HG22 ' A' ' 60' ' ' VAL . 40.6 ttt85 -67.91 -49.37 62.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.351 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.13 -31.71 72.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 82.8 mt -73.78 -42.69 54.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.293 176.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.604 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -59.3 -42.19 97.22 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.95 -39.29 93.26 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.08 86.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 110.73 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 40.3 mt -65.15 -37.86 88.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.928 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.611 ' HD1' ' CD2' ' A' ' 16' ' ' TYR . 77.4 t80 -75.84 -39.11 57.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.354 . . . . 0.0 111.084 178.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.77 -44.81 80.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.06 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.88 -26.1 31.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -178.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.61 66.24 77.75 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 120.456 0.17 . . . . 0.0 111.223 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.79 -22.34 17.81 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.787 1.658 . . . . 0.0 111.355 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.92 19.32 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.712 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -122.73 112.85 18.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.13 123.47 82.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.738 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.583 '2HB ' HD21 ' A' ' 62' ' ' LEU . 74.2 Cg_endo -76.3 -10.06 19.07 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 113.417 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -82.7 -28.59 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -90.21 14.35 12.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -106.3 120.16 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.66 173.55 7.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.37 -41.34 89.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.748 0.309 . . . . 0.0 110.617 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.8 -39.27 93.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.221 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.61 -49.89 60.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.377 0.608 . . . . 0.0 109.814 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.46 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 19.9 ttp -63.6 -34.5 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.216 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -61.0 -26.22 67.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.217 -178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.23 -60.54 2.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.126 0.489 . . . . 0.0 110.133 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -63.08 -36.64 84.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.338 -175.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.89 -30.58 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.488 -177.228 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.8 t -68.22 -40.08 82.18 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.524 0.202 . . . . 0.0 110.843 -176.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -109.9 29.71 7.37 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.499 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.681 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 32.3 mt -56.49 139.95 47.66 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.19 -26.13 64.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.514 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -111.17 -4.9 14.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.601 ' CB ' '2HB ' ' A' ' 39' ' ' LEU . 86.5 t80 -90.5 137.22 32.53 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.794 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.514 ' O ' ' HA ' ' A' ' 1' ' ' MET . 32.4 t70 -170.07 86.5 0.13 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.039 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -136.53 -88.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.475 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -145.35 112.85 4.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.26 -1.38 11.5 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.232 1.954 . . . . 0.0 114.023 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -113.09 -37.0 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.386 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.21 34.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.1 p -82.33 52.6 2.07 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -58.75 166.56 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.054 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.65 -41.51 81.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -68.26 -27.66 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 24.0 mm -68.75 -55.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.418 175.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.67 -33.84 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.311 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.3 tt0 -61.61 -44.82 96.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.794 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.74 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 111.015 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 66.3 mt -71.91 -38.46 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 110.495 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.5 tm? -64.88 -42.99 94.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -60.71 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.472 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.702 HG22 ' HA ' ' A' ' 9' ' ' ARG . 12.6 p -65.87 -33.38 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.755 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -63.47 -42.6 98.6 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.583 HD21 '2HB ' ' A' ' 24' ' ' PRO . 95.7 mt -57.02 -54.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.252 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.09 -34.16 77.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.941 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -77.39 -33.97 55.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.76 -38.54 14.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.549 -176.068 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.27 -111.39 2.3 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.26 132.51 39.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.508 '2HB ' ' OD2' ' A' ' 7' ' ' ASP . 31.9 mmtm -90.03 157.31 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.282 172.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -70.16 -16.48 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.501 . . . . 0.0 110.493 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -76.72 -19.68 57.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.393 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.508 ' OD2' '2HB ' ' A' ' 4' ' ' LYS . 58.1 m-20 -86.08 63.56 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.272 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -53.7 -44.82 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.466 ' HA ' HG22 ' A' ' 60' ' ' VAL . 32.5 ttt180 -70.45 -47.91 58.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.511 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.77 -23.67 67.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.963 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.547 HG22 HD11 ' A' ' 57' ' ' ILE . 77.4 mt -77.09 -43.5 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.61 96.75 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.895 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -58.47 -41.49 85.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.61 99.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.5 -38.66 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.627 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 88.6 t80 -69.73 -36.87 76.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.752 0.31 . . . . 0.0 110.51 177.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.11 -38.79 92.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.139 0.495 . . . . 0.0 110.68 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.97 -40.99 26.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.419 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -127.78 75.91 77.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.295 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.75 -28.07 3.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.271 1.981 . . . . 0.0 112.387 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -90.72 -6.05 54.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.59 114.27 26.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.767 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -64.73 119.65 59.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.537 '2HG ' HD21 ' A' ' 62' ' ' LEU . 19.3 Cg_endo -60.3 -15.07 32.87 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.018 2.479 . . . . 0.0 112.598 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.2 -38.76 88.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.9 t -91.14 5.66 48.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.058 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.41 110.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -84.18 165.72 18.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.235 -0.438 . . . . 0.0 109.949 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -59.9 -34.85 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 110.42 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.446 ' O ' '2HG ' ' A' ' 34' ' ' GLN . 1.7 p -62.64 -53.0 61.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.102 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.84 -49.19 78.68 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 109.968 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -59.58 -41.18 89.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.652 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.62 ' HA ' HG23 ' A' ' 36' ' ' ILE . 41.5 t-80 -65.48 -35.09 79.87 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.751 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 '2HG ' ' O ' ' A' ' 30' ' ' THR . 15.8 mm100 -60.96 -49.37 77.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.901 0.382 . . . . 0.0 110.543 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -73.77 -41.4 62.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.961 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.709 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.3 -32.08 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.745 -176.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.57 -18.23 60.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.399 178.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -111.09 25.48 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.491 0.662 . . . . 0.0 110.069 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.709 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 38.8 mt -80.38 144.57 32.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.541 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.22 -33.22 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.533 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.95 -18.91 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.317 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.652 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 70.7 t80 -79.23 128.94 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.919 0.39 . . . . 0.0 110.67 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -169.98 94.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -158.97 -76.29 0.07 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.2 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -145.9 113.44 4.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.041 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -78.29 -24.33 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.79 2.327 . . . . 0.0 112.765 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -84.97 -36.83 21.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.68 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.6 87.0 6.29 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.249 0.547 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -127.98 61.22 1.44 Allowed 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.518 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.7 t30 -48.2 141.18 6.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.559 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -48.48 -51.38 27.45 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.24 -21.48 63.93 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.518 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 19.8 mm -66.97 -56.19 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.472 0.653 . . . . 0.0 109.572 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.07 -30.81 70.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.742 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.545 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 35.7 tt0 -58.48 -47.84 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.782 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.41 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.547 HD11 HG22 ' A' ' 11' ' ' ILE . 64.7 mt -69.9 -37.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.64 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -68.33 -38.46 81.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.5 mt -62.47 -46.8 86.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.571 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 9' ' ' ARG . 13.7 p -64.25 -36.23 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -62.29 -42.62 99.51 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD21 '2HG ' ' A' ' 24' ' ' PRO . 98.3 mt -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.52 -37.86 74.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.434 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -77.87 -42.31 33.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.211 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.12 68.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.467 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.862 177.381 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.9 mtp . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.05 0.452 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.13 -134.18 3.2 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.557 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 88.3 mt -68.43 115.28 7.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.825 0.821 . . . . 0.0 109.326 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HZ1' ' CG ' ' A' ' 44' ' ' ASP . 22.2 tptp -96.54 164.93 12.4 Favored 'General case' 0 N--CA 1.417 -2.124 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.47 -173.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.47 ' CE3' HG22 ' A' ' 53' ' ' ILE . 25.6 m95 -75.38 53.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.909 0.861 . . . . 0.0 109.823 173.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -146.67 -35.76 0.25 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.641 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -78.81 51.91 1.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.962 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.528 ' O ' HG12 ' A' ' 60' ' ' VAL . 13.7 p -59.25 -36.29 75.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.599 HH11 HG21 ' A' ' 60' ' ' VAL . 24.7 tpp180 -76.11 -38.47 56.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.195 0.522 . . . . 0.0 109.706 -177.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -67.75 -44.29 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.259 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.457 HG12 HD11 ' A' ' 3' ' ' LEU . 77.1 mt -67.84 -29.89 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -60.73 -37.08 92.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.46 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.31 -34.16 75.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.1 86.98 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.339 0.59 . . . . 0.0 110.622 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.17 -45.04 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.871 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.627 ' HD2' ' CD1' ' A' ' 16' ' ' TYR . 90.0 t80 -67.92 -38.53 83.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.794 179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.05 -45.06 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.511 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.85 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.589 ' HD2' ' CD1' ' A' ' 19' ' ' TYR . 18.7 m-85 -128.84 78.23 76.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.532 0.206 . . . . 0.0 110.695 -177.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.97 -29.94 3.94 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.375 2.05 . . . . 0.0 112.907 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.33 2.76 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -99.29 134.14 42.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.732 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' O ' HG21 ' A' ' 27' ' ' VAL . 2.6 m-20 -71.92 114.21 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.525 '2HG ' HD21 ' A' ' 62' ' ' LEU . 30.1 Cg_endo -65.21 -18.42 61.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.548 2.165 . . . . 0.0 110.955 174.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.62 -36.78 68.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.5 m -80.25 -24.85 39.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.475 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG21 ' O ' ' A' ' 23' ' ' ASP . 85.8 t -70.11 126.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.19 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -98.08 174.24 6.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.645 ' HD2' ' CD1' ' A' ' 29' ' ' PHE . 55.2 m-85 -62.31 -39.19 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -176.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.7 m -62.83 -44.4 96.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.103 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -62.13 -56.28 20.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.527 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.409 ' SD ' ' HB ' ' A' ' 36' ' ' ILE . 13.3 tmm? -59.56 -40.03 85.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.656 -176.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.508 ' HA ' HG23 ' A' ' 36' ' ' ILE . 28.9 t-80 -60.55 -33.07 72.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -67.47 -40.58 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -79.0 -42.51 26.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.188 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.545 HD11 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -64.66 -31.28 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.029 0.442 . . . . 0.0 109.905 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.63 -30.98 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.125 0.488 . . . . 0.0 110.157 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.53 35.57 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.303 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.545 '2HB ' ' CB ' ' A' ' 42' ' ' PHE . 72.0 mt -86.62 136.11 33.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.3 pm0 -75.48 -22.47 57.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.63 -11.28 29.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.468 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 55.6 t80 -81.38 134.31 35.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.95 98.49 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.26 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.449 ' CG ' ' HZ1' ' A' ' 4' ' ' LYS . 30.7 t70 -161.6 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.446 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -145.72 98.98 4.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.945 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.99 -15.04 26.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.498 2.132 . . . . 0.0 113.135 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -91.59 -31.89 15.72 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.527 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.12 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.77 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m 50.12 64.42 1.8 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.681 0.613 . . . . 0.0 111.611 176.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.807 '2HB ' HG12 ' A' ' 53' ' ' ILE . 1.8 m-20 -50.35 148.93 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.589 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.41 -35.57 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -56.72 -41.01 76.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.307 0.575 . . . . 0.0 109.921 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.807 HG12 '2HB ' ' A' ' 50' ' ' ASN . 13.2 mm -64.92 -55.99 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.127 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.6 mt -59.9 -38.3 81.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.494 -175.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.0 tt0 -66.39 -42.03 88.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.304 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.28 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.973 0.416 . . . . 0.0 110.627 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 63.8 mt -72.33 -29.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.399 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -73.67 -38.38 64.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.521 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 86.0 mt -63.4 -43.93 96.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.074 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.599 HG21 HH11 ' A' ' 9' ' ' ARG . 2.4 p -65.75 -34.31 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.5 t90 -64.36 -39.01 93.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.525 HD21 '2HG ' ' A' ' 24' ' ' PRO . 95.8 mt -61.81 -41.66 98.03 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.846 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -55.44 -46.31 76.76 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.362 . . . . 0.0 111.653 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.19 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.817 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.9 -54.87 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.492 -175.314 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.448 ' H3 ' ' CG ' ' A' ' 44' ' ' ASP . 2.1 tmt? . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.94 0.4 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.552 ' HA3' ' O ' ' A' ' 41' ' ' ASP . . . -106.24 -67.65 0.68 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.567 -175.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.2 105.59 7.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -77.91 146.95 35.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 172.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -64.06 -22.39 66.91 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.947 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -67.18 -26.56 66.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.332 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -87.79 62.27 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 109.923 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -58.17 -35.64 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.007 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -73.05 -41.9 63.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -61.26 -34.58 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.719 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.404 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 68.9 mt -82.7 -38.74 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.525 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -57.93 -45.01 94.2 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.292 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -71.78 -28.9 63.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.551 0.215 . . . . 0.0 110.616 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.54 99.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.279 0.562 . . . . 0.0 110.318 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 46.6 mt -67.07 -34.21 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.507 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.51 -34.41 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.416 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -67.88 -48.66 65.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.466 177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.45 69.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.687 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -123.89 75.67 57.38 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.11 -15.03 13.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.264 1.976 . . . . 0.0 111.502 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -90.41 -13.9 34.0 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.777 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.55 137.55 33.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.114 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.509 ' O ' HG21 ' A' ' 27' ' ' VAL . 10.9 m-20 -79.61 119.83 78.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.962 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.493 '2HB ' HD21 ' A' ' 62' ' ' LEU . 39.5 Cg_endo -67.33 -18.16 49.89 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.046 1.831 . . . . 0.0 111.223 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -84.27 -18.28 36.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.76 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -91.18 -22.92 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 23' ' ' ASP . 67.5 t -72.79 132.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.618 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.6 mmp_? -101.47 168.68 9.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 173.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 42.6 m-85 -59.44 -44.3 92.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -174.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -58.12 -42.54 86.01 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.516 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -64.46 -48.37 75.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.128 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -59.3 -38.23 79.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.412 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.448 ' HA ' HG23 ' A' ' 36' ' ' ILE . 45.0 t60 -60.44 -24.02 64.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.95 -39.41 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.301 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -80.65 -44.15 19.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.768 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.537 ' O ' HD11 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.36 -31.98 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -176.16 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.19 -20.77 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.83 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.65 26.7 10.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.502 0.668 . . . . 0.0 110.377 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 77.9 mt -81.74 138.6 35.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.552 ' O ' ' HA3' ' A' ' 2' ' ' GLY . 13.4 m-20 -84.51 -18.67 35.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.717 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.661 ' HD1' ' CD2' ' A' ' 42' ' ' PHE . 86.8 t80 -81.5 120.71 25.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.053 177.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.65 57.47 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.448 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 4.3 m-20 -137.02 -91.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -169.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -120.55 84.55 36.5 Favored Pre-proline 0 C--O 1.222 -0.349 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.803 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.45 -2.18 12.36 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 121.812 1.675 . . . . 0.0 111.718 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -84.25 -18.27 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.988 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 129.17 48.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.083 0.468 . . . . 0.0 111.568 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -157.77 55.92 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.763 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 45.7 t30 -57.3 153.56 12.01 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.695 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.98 -50.87 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.516 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -64.54 -26.02 68.24 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.547 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.59 -53.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 171.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.4 mt -66.56 -34.73 78.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.377 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 33.6 tt0 -62.56 -42.91 99.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.317 -177.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.12 84.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.151 0.5 . . . . 0.0 110.759 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.26 -33.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.477 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.525 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -72.34 -41.73 66.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.974 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -60.54 -44.27 96.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.831 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.525 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -68.05 -34.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.179 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -63.94 -39.6 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.4 mt -58.58 -49.72 76.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.56 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -74.56 -30.61 61.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -173.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.671 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.92 21.61 4.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.16 178.429 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HA ' '2HB ' ' A' ' 41' ' ' ASP . 26.0 ptt? . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 121.51 29.99 1.35 Allowed Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.817 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.437 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 90.3 mt -70.8 103.75 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.688 0.28 . . . . 0.0 110.295 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.09 151.91 18.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.444 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.404 ' CZ3' HD13 ' A' ' 36' ' ' ILE . 81.4 m95 -66.06 -14.01 60.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -74.23 -21.94 59.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.121 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -102.12 60.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.477 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 p -61.59 -30.95 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -74.47 -40.03 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 0.0 110.396 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.6 -37.84 87.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.269 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.579 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -58.64 -48.22 85.89 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.69 -33.7 76.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.649 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.67 72.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.44 -34.12 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.648 ' HD1' ' CD2' ' A' ' 16' ' ' TYR . 65.5 t80 -63.9 -45.54 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.715 176.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.41 -35.84 81.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.616 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.97 -46.78 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.703 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.648 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 49.6 m-85 -131.28 79.32 70.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.678 0.275 . . . . 0.0 111.575 -175.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -80.56 -27.09 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.78 2.32 . . . . 0.0 111.67 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.92 -22.53 45.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.049 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.95 123.01 32.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.671 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.429 ' O ' HG21 ' A' ' 27' ' ' VAL . 7.8 m-20 -68.19 120.34 73.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.353 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.66 -19.72 61.87 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.824 2.349 . . . . 0.0 111.749 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -67.2 -38.64 85.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.436 0.636 . . . . 0.0 109.9 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.407 ' HG1' '2HB ' ' A' ' 23' ' ' ASP . 6.0 m -80.84 -19.37 44.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.045 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.504 HG13 '2HB ' ' A' ' 32' ' ' MET . 25.0 t -74.68 115.6 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.636 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -91.09 158.83 16.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.645 ' HE1' ' CE2' ' A' ' 29' ' ' PHE . 52.1 m-85 -58.33 -40.72 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 118.236 0.471 . . . . 0.0 111.429 -174.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -67.28 -44.17 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.11 -41.35 95.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.335 0.588 . . . . 0.0 110.18 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.628 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 22.6 ttt -57.78 -42.0 83.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.382 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 -36.73 82.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.414 0.626 . . . . 0.0 110.814 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.463 ' CZ3' HG11 ' A' ' 27' ' ' VAL . 8.6 m0 -86.89 -47.67 8.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.82 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.601 HD11 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -70.69 -30.12 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.629 0.252 . . . . 0.0 111.285 -174.17 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -79.72 -12.2 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.81 -0.556 . . . . 0.0 110.377 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.27 17.16 16.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.462 0.649 . . . . 0.0 110.269 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.702 '2HB ' '2HB ' ' A' ' 42' ' ' PHE . 80.6 mt -63.75 144.13 57.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.303 0.573 . . . . 0.0 110.467 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.41 -28.65 68.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.074 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.459 '2HB ' ' HA ' ' A' ' 1' ' ' MET . 22.0 p-10 -114.49 3.75 15.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.628 ' HE1' ' CE2' ' A' ' 42' ' ' PHE . 82.9 t80 -61.13 134.37 56.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.974 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -161.75 94.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.579 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -163.49 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.483 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -147.84 116.21 4.15 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 117.81 0.277 . . . . 0.0 110.537 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.31 -9.59 25.73 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.939 2.426 . . . . 0.0 113.911 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -101.72 -35.88 8.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.45 28.47 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -78.73 62.19 3.19 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.151 0.5 . . . . 0.0 109.784 174.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 85.9 m-20 -54.79 158.81 2.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.023 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 13.1 mp0 -58.67 -53.2 61.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.889 -174.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -67.09 -18.5 65.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.504 -179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.527 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 26.9 mm -65.87 -59.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.67 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 tt0 -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.782 178.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.71 83.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.4 . . . . 0.0 110.935 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.628 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 63.8 mt -71.99 -37.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -65.59 -40.51 92.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.3 mt -62.24 -41.41 98.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.781 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HA3' ' A' ' 12' ' ' GLY . 11.7 p -75.82 -30.31 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.209 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.2 mt -54.75 -51.0 67.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.028 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.77 -30.81 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.706 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -83.83 -34.96 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 0.0 111.425 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 -47.5 12.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.593 -0.718 . . . . 0.0 111.277 -175.387 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.06 -126.83 2.64 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.495 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.93 100.63 4.17 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.435 ' HA ' ' OD2' ' A' ' 44' ' ' ASP . 63.5 mmtt -72.09 158.14 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -60.76 -27.53 68.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 111.265 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.2 m -69.97 -22.68 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -85.33 45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -52.87 -38.12 61.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.535 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -67.3 -44.44 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.412 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.0 mt -70.51 -37.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.67 -40.87 95.36 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.597 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.36 -47.94 80.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.63 76.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.455 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD12 ' SD ' ' A' ' 32' ' ' MET . 20.6 mt -63.49 -42.21 98.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.432 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -69.87 -37.75 76.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.37 . . . . 0.0 111.171 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.77 -44.08 57.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.998 0.427 . . . . 0.0 110.981 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 -29.92 35.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.733 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.646 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 49.4 m-85 -126.52 74.55 74.32 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.819 -178.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.55 -23.34 7.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.687 2.258 . . . . 0.0 112.671 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.15 -4.37 57.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.573 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.35 107.11 19.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.026 0.441 . . . . 0.0 110.66 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' HG21 ' A' ' 27' ' ' VAL . 1.1 t70 -67.83 123.1 86.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.781 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.538 '2HG ' HD21 ' A' ' 62' ' ' LEU . 23.5 Cg_endo -61.71 -19.88 66.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.163 2.576 . . . . 0.0 113.261 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.432 '2HB ' ' OD2' ' A' ' 23' ' ' ASP . 59.7 mttm -72.24 -45.96 58.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.817 0.341 . . . . 0.0 110.118 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.2 t -77.8 -17.95 56.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 23' ' ' ASP . 69.8 t -76.09 121.97 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 176.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -91.22 163.95 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.242 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -59.34 -42.39 91.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.029 0.443 . . . . 0.0 110.172 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -61.57 -30.69 70.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.531 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.23 -44.85 14.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.458 ' SD ' HD12 ' A' ' 15' ' ' LEU . 14.0 tmm? -59.75 -38.19 81.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.419 ' HA ' HG23 ' A' ' 36' ' ' ILE . 48.4 t-80 -57.98 -30.9 66.4 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -68.67 -51.84 37.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.142 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.6 -38.5 67.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.196 -175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.543 ' O ' HD11 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -67.17 -31.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.532 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.98 -21.15 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.281 0.562 . . . . 0.0 110.026 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.52 -7.59 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.492 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 69.6 mt -68.35 131.01 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.303 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -81.52 -15.3 55.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.95 -18.02 41.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.135 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -78.22 140.51 38.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.063 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -167.2 94.47 0.46 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.385 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' OD2' ' HA ' ' A' ' 4' ' ' LYS . 2.3 p30 -161.16 -89.77 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.221 170.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.433 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 5.9 m-20 -144.24 96.83 5.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.869 0.366 . . . . 0.0 111.298 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.424 '2HD ' ' HA ' ' A' ' 45' ' ' ASP . 37.3 Cg_endo -66.24 -14.94 46.48 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 111.683 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -80.42 -14.98 57.86 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.92 -95.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.4 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.9 p 43.55 63.66 1.48 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.766 0.667 . . . . 0.0 112.622 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.445 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 90.0 m-20 -59.74 150.67 27.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.277 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' HA ' HD13 ' A' ' 54' ' ' LEU . 0.0 OUTLIER -60.67 -33.54 72.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.876 -178.557 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -61.73 -34.72 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.206 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.445 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 25.9 mm -66.01 -52.21 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.734 175.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 51' ' ' GLU . 39.7 mt -59.31 -35.92 74.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.307 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 tt0 -63.23 -46.33 87.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.877 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.85 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.994 0.426 . . . . 0.0 110.814 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.01 -37.11 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -70.76 -40.32 72.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.785 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.8 mt -61.36 -44.88 96.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.589 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.09 -31.32 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.538 HD21 '2HG ' ' A' ' 24' ' ' PRO . 82.5 mt -57.88 -39.82 78.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.749 175.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.61 -47.36 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.744 -176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.73 -42.89 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.24 23.17 2.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.393 . . . . 0.0 111.444 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.601 176.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.77 0.319 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.9 -133.15 2.83 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.92 125.68 24.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.0 111.345 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 146.6 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.616 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 39.2 m95 -62.12 -29.48 70.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.15 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -66.1 -24.61 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.487 0.66 . . . . 0.0 110.099 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -99.6 50.36 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.704 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -60.91 -22.93 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -63.26 -45.51 91.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.82 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -72.61 -32.97 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.961 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.83 -37.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.59 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' HA3' HG11 ' A' ' 60' ' ' VAL . . . -59.57 -45.82 94.99 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 173.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.11 -34.79 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.734 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.9 74.33 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.26 -38.94 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 1.659 ' HD1' ' CD2' ' A' ' 16' ' ' TYR . 63.6 t80 -70.33 -24.98 63.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.634 176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.43 -46.13 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.6 -28.27 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.625 ' HE1' ' CE2' ' A' ' 19' ' ' TYR . 82.8 m-85 -130.43 78.0 75.0 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 -36.63 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.853 2.368 . . . . 0.0 112.74 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.51 -2.65 57.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.4 tp -90.32 118.47 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.286 -178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' OD2' HG23 ' A' ' 26' ' ' THR . 5.6 p-10 -76.65 138.91 66.57 Favored Pre-proline 0 N--CA 1.44 -0.949 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.529 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.614 '2HG ' HD21 ' A' ' 62' ' ' LEU . 98.2 Cg_endo -81.47 4.84 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.726 2.284 . . . . 0.0 111.716 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -77.6 -38.53 48.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.481 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.437 HG23 ' OD2' ' A' ' 23' ' ' ASP . 7.1 t -82.29 -16.94 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.101 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.08 131.12 35.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 111.535 -174.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -102.37 171.77 7.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.505 174.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 29' ' ' PHE . 60.6 m-85 -62.78 -48.38 79.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.724 0.297 . . . . 0.0 110.963 -177.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 t -67.68 -33.44 74.94 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.19 -43.95 73.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.008 0.433 . . . . 0.0 110.343 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.43 ' HE2' ' HB ' ' A' ' 57' ' ' ILE . 19.4 ttp -63.32 -36.05 82.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.581 177.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HA ' HG23 ' A' ' 36' ' ' ILE . 64.8 t-80 -60.53 -35.72 76.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.48 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -56.62 -59.72 4.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 0.0 110.098 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.094 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.581 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.39 -27.69 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.52 -44.61 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.216 -0.303 . . . . 0.0 111.318 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.63 19.07 14.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.581 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 60.8 mt -58.01 134.94 56.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.103 173.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.25 -29.75 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.13 -1.85 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.433 -175.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' A' ' 42' ' ' PHE . 62.2 t80 -81.03 114.87 20.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.807 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.14 97.17 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.166 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -164.04 -96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -145.4 94.66 5.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.24 -11.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.01 2.473 . . . . 0.0 112.505 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -83.06 -35.33 25.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.529 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.55 38.98 0.81 Allowed 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.6 m -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.575 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.5 m-20 -55.43 157.33 3.86 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.85 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.09 -53.74 54.98 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -60.32 -29.93 69.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.989 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.575 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.8 mm -58.97 -56.45 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.489 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.72 -33.08 72.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.178 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 37.6 tt0 -63.31 -39.43 94.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.331 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.594 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.43 ' HB ' ' HE2' ' A' ' 32' ' ' MET . 62.4 mt -66.83 -36.22 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.368 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 tm? -69.35 -42.15 75.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.758 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.0 mt -62.49 -37.29 85.41 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.108 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.401 HG11 ' HA3' ' A' ' 12' ' ' GLY . 7.2 p -75.27 -35.44 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -66.8 -36.16 81.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.614 HD21 '2HG ' ' A' ' 24' ' ' PRO . 87.4 mt -55.49 -33.87 64.09 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.558 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.18 -43.1 18.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.656 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.83 -44.3 61.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -175.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.25 61.71 7.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 110.509 179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.876 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.733 0.301 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.24 -169.98 12.4 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.528 '2HB ' ' HA ' ' A' ' 42' ' ' PHE . 94.0 mt -60.44 124.88 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.604 0.702 . . . . 0.0 109.864 174.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.691 '2HD ' '2HB ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -106.23 167.82 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.997 -177.183 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -78.84 66.88 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.767 0.794 . . . . 0.0 109.61 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.566 HG23 '2HB ' ' A' ' 4' ' ' LYS . 11.2 t -169.71 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.101 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -81.24 45.49 0.85 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.943 173.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -55.24 -38.11 68.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -76.44 -35.58 58.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.35 -36.75 82.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.379 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 84.1 mt -71.39 -37.08 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.029 175.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.62 -51.57 51.38 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.777 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.61 -40.18 74.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.576 0.227 . . . . 0.0 110.904 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.83 78.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.4 -39.26 68.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.5 -36.72 84.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.212 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.39 -46.64 19.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.488 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.98 64.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.335 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 1.621 ' HD1' ' CD2' ' A' ' 19' ' ' TYR . 91.6 m-85 -130.42 68.78 81.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.987 -178.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.75 -18.01 19.75 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.275 1.984 . . . . 0.0 111.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.61 -2.83 58.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.969 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' HG ' ' CH2' ' A' ' 35' ' ' TRP . 3.3 mm? -94.82 129.9 41.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.542 ' O ' HG21 ' A' ' 27' ' ' VAL . 5.3 m-20 -84.92 114.02 53.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 '2HG ' HD21 ' A' ' 62' ' ' LEU . 17.8 Cg_endo -59.97 -17.58 45.29 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.811 2.341 . . . . 0.0 112.21 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -65.56 -48.22 73.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 p -87.85 -23.2 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.909 -175.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.542 HG21 ' O ' ' A' ' 23' ' ' ASP . 93.4 t -62.89 117.52 3.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.1 mtt180 -87.97 160.61 17.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.619 -178.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.65 -39.54 80.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.885 0.311 . . . . 0.0 111.125 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.9 p -61.67 -44.21 97.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.597 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.41 -35.98 68.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.186 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -65.89 -38.6 89.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.514 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.609 ' HA ' HG23 ' A' ' 36' ' ' ILE . 53.0 t-80 -63.64 -35.38 80.36 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.587 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.94 -53.09 60.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.284 0.564 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.442 ' CH2' ' HG ' ' A' ' 22' ' ' LEU . 15.4 m0 -68.31 -50.41 53.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.139 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.609 HG23 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -65.49 -34.51 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.65 -175.119 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 t -78.4 -16.88 57.15 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.008 -0.433 . . . . 0.0 110.166 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.69 -17.45 31.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.299 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.7 mt -58.19 128.24 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.775 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -81.74 -15.45 54.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.847 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -79.34 -18.71 51.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 109.182 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 1.662 ' HE2' ' CE1' ' A' ' 42' ' ' PHE . 36.0 t80 -87.74 129.0 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.18 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -160.65 108.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.691 '2HB ' '2HD ' ' A' ' 4' ' ' LYS . 19.1 t70 -163.11 -84.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.831 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -147.22 113.52 4.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 1.65 7.56 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.976 2.451 . . . . 0.0 113.654 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -110.06 -36.15 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.836 0.309 . . . . 0.0 111.836 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.44 34.91 0.53 Allowed 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 p -80.14 64.16 4.88 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.53 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 77.4 m-20 -48.89 150.98 1.32 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.978 177.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -41.38 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.985 -176.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -63.68 -33.34 75.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.025 0.441 . . . . 0.0 110.583 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.53 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.7 mm -61.55 -54.39 35.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.073 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.01 -35.71 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.43 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.5 tt0 -61.64 -42.99 99.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.19 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 110.909 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.93 -33.66 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.299 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -74.15 -39.6 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.758 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 93.4 mt -60.13 -45.82 91.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.684 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 p -65.57 -35.45 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.365 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -64.15 -44.21 92.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.473 HD21 '2HG ' ' A' ' 24' ' ' PRO . 86.8 mt -56.6 -39.54 73.74 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.104 0.478 . . . . 0.0 110.968 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.41 -43.53 55.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.745 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -77.0 -31.94 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.693 -176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.0 10.78 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.334 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.59 178.661 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 CA--C 1.506 -0.472 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HB3' HG12 ' A' ' 11' ' ' ILE . 70.9 mt -59.97 121.68 12.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.008 0.433 . . . . 0.0 110.242 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -100.65 146.1 27.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.522 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' A' ' 53' ' ' ILE . 14.2 m95 -56.95 -46.33 82.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.2 m -62.89 -28.71 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.246 0.546 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.34 57.85 4.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.714 0.769 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -66.45 -27.96 68.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.469 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HA ' HG21 ' A' ' 60' ' ' VAL . 31.3 ttm180 -68.41 -46.57 69.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.564 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.91 -34.71 73.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.245 0.545 . . . . 0.0 109.742 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 3' ' ' LEU . 67.7 mt -72.71 -42.73 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.62 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.674 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.16 -44.97 94.59 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -65.34 -38.39 89.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.95 91.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.996 0.426 . . . . 0.0 110.931 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD11 ' SD ' ' A' ' 32' ' ' MET . 18.9 mt -67.93 -42.51 80.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.214 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 35.1 t80 -72.03 -30.18 64.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.116 0.484 . . . . 0.0 110.624 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.01 -48.27 71.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.014 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.19 28.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.548 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.872 ' HB3' HD13 ' A' ' 22' ' ' LEU . 89.8 m-85 -128.8 66.13 74.6 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.778 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.38 -9.28 16.27 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.177 1.918 . . . . 0.0 111.128 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.57 -16.48 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.49 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.872 HD13 ' HB3' ' A' ' 19' ' ' TYR . 7.3 mp -97.51 141.72 30.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.125 -175.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 27' ' ' VAL . 12.8 t70 -93.14 118.72 67.85 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.47 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.65 ' HG2' HD23 ' A' ' 62' ' ' LEU . 36.7 Cg_endo -65.99 -7.77 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.184 2.589 . . . . 0.0 113.868 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -81.39 -38.16 27.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.362 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 23' ' ' ASP . 96.4 t -83.69 119.3 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.513 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -93.18 175.57 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.95 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 23.1 m-85 -62.58 -42.02 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.402 . . . . 0.0 110.427 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.529 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.0 m -55.77 -54.08 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.123 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.18 -44.0 97.99 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.345 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.462 ' SD ' HD11 ' A' ' 15' ' ' LEU . 13.6 tmm? -63.46 -43.23 97.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.33 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.626 ' HA ' HG22 ' A' ' 36' ' ' ILE . 30.8 t-80 -62.96 -28.94 70.43 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.994 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 30' ' ' THR . 27.7 mt-30 -65.65 -47.35 75.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.147 0.499 . . . . 0.0 109.897 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -76.59 -40.8 48.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.765 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.626 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -66.01 -33.04 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.755 0.312 . . . . 0.0 110.682 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.09 -17.51 49.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.235 0.54 . . . . 0.0 109.918 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.087 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.4 mt -57.18 129.68 42.84 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.144 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.19 -27.98 64.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.206 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.19 -18.56 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -64.33 127.8 33.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.89 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.489 ' HB3' ' HA3' ' A' ' 2' ' ' GLY . 24.5 t70 -161.67 94.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.419 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -154.87 -90.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.336 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.72 111.91 3.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.213 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.05 -18.28 61.45 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.799 2.333 . . . . 0.0 113.821 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -103.08 -35.65 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.771 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.8 50.56 0.71 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.291 0.567 . . . . 0.0 111.806 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.442 ' HB3' HD21 ' A' ' 54' ' ' LEU . 13.1 m -93.37 66.59 3.97 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.548 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 22.6 m-20 -49.16 151.89 1.27 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.722 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.69 -51.55 65.18 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.467 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 71.8 mmtt -65.12 -24.16 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.307 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 23.4 mm -62.45 -53.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 49' ' ' SER . 84.8 mt -67.65 -34.67 77.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.504 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 34.3 tt0 -63.57 -44.68 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.29 84.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.151 0.501 . . . . 0.0 110.69 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' HA ' HG12 ' A' ' 60' ' ' VAL . 66.4 mt -69.78 -36.46 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.659 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.42 -43.7 76.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' A' ' 62' ' ' LEU . 84.1 mt -64.53 -39.08 93.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.577 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.674 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -72.94 -29.28 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.514 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -64.82 -44.05 91.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.65 HD23 ' HG2' ' A' ' 24' ' ' PRO . 68.7 mt -55.86 -44.1 77.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.325 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.04 -46.14 88.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.027 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -72.96 -44.49 61.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.859 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -174.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 95.0 mt -62.18 127.11 29.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.785 0.326 . . . . 0.0 110.772 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.1 mmmp? -96.28 166.96 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.653 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 25.1 m95 -72.97 21.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.424 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.2 m -124.58 -13.05 7.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.232 0.539 . . . . 0.0 110.141 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 11' ' ' ILE . 11.6 m-20 -89.92 48.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -59.38 -34.24 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HA ' HG21 ' A' ' 60' ' ' VAL . 70.2 ttt-85 -63.57 -53.67 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.707 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.35 -28.99 69.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.703 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 7' ' ' ASP . 76.4 mt -71.01 -40.28 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.019 0.438 . . . . 0.0 109.884 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -61.0 -43.57 99.28 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.906 176.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 45.0 mt-10 -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.76 84.02 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.456 HD11 ' SD ' ' A' ' 32' ' ' MET . 25.9 mt -64.96 -44.79 88.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.768 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -64.29 -40.01 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.41 -40.29 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.65 60.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.82 75.61 75.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.745 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -74.14 -22.24 17.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.211 1.941 . . . . 0.0 112.172 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -84.65 -11.88 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.327 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 22' ' ' LEU . 34.1 mt -90.02 122.38 32.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 111.0 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.74 123.26 63.88 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.69 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HG2' HD23 ' A' ' 62' ' ' LEU . 22.3 Cg_endo -60.48 -13.71 26.68 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.648 2.898 . . . . 0.0 113.825 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.15 -38.14 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.702 0.287 . . . . 0.0 110.49 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -91.29 -16.2 27.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 0.0 110.465 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 85.2 t -76.61 109.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.103 0.477 . . . . 0.0 110.25 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -87.21 168.71 12.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.547 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -55.96 -45.41 78.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -60.61 -38.69 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.93 -49.37 52.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.456 ' SD ' HD11 ' A' ' 15' ' ' LEU . 11.0 tmm? -60.79 -43.34 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.14 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -55.3 -33.6 63.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.238 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.527 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.7 tp60 -71.79 -52.12 19.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.104 0.478 . . . . 0.0 110.599 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -70.12 -33.07 71.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.373 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.32 -30.71 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 176.644 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -72.58 -24.84 61.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.332 0.586 . . . . 0.0 109.853 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.39 20.43 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 67.8 mt -90.37 133.07 35.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.74 -26.68 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 109.85 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.35 -18.25 46.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.537 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.605 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 50.3 t80 -78.82 135.14 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 175.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -165.61 83.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.99 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.521 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 60.2 t0 -135.01 -90.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.59 104.72 3.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.558 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.63 -4.71 15.61 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.281 1.988 . . . . 0.0 112.277 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -90.57 -28.55 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.197 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.96 -101.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.044 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.653 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 18.0 p 46.15 61.69 2.6 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.195 0.598 . . . . 0.0 112.038 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -75.36 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.41 -46.69 66.41 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -57.3 -40.42 77.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.658 0.266 . . . . 0.0 111.26 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.92 -49.35 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.355 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.01 -37.11 85.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.2 tt0 -59.14 -48.15 82.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.659 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.79 74.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.79 -36.5 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.762 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.4 tm? -68.75 -38.29 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.0 mt -58.41 -48.96 78.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.904 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.575 HG13 ' HA3' ' A' ' 12' ' ' GLY . 14.9 p -68.01 -30.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -67.65 -37.44 82.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.3 mt -61.43 -31.08 71.01 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.911 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.64 -43.55 59.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.36 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.91 -50.53 14.76 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.52 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.228 0.537 . . . . 0.0 110.655 176.671 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 78.0 mt -60.51 110.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 110.051 174.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.9 mmmp? -91.07 153.93 19.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.843 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -64.3 -20.65 66.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.954 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -77.88 -24.47 48.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.138 0.494 . . . . 0.0 110.755 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.85 47.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.989 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 p -53.41 -38.41 63.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.179 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -66.62 -48.23 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.58 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.65 -32.68 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.931 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -74.96 -40.81 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.512 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.65 -37.79 84.87 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.192 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.46 -43.8 88.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.575 0.226 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.59 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.94 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD11 ' SD ' ' A' ' 32' ' ' MET . 45.5 mt -64.79 -43.42 93.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.699 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -70.15 -30.81 68.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.993 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.22 -36.56 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.32 -38.69 18.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.38 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.9 75.38 76.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.825 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.78 -36.98 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.664 2.243 . . . . 0.0 112.433 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -90.73 -0.42 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.259 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -89.51 130.98 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.12 112.33 7.99 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.941 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' HB2' HD23 ' A' ' 62' ' ' LEU . 58.3 Cg_endo -73.67 -19.48 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.659 2.24 . . . . 0.0 113.075 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -67.52 -42.04 83.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.094 0.473 . . . . 0.0 110.53 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -87.43 24.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.208 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.85 117.65 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 0.0 110.151 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -76.64 157.04 32.17 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -58.34 -32.24 68.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.424 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -62.02 -46.08 90.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -60.42 -51.87 67.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.225 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.425 ' SD ' HD11 ' A' ' 15' ' ' LEU . 10.1 tmm? -61.68 -44.69 96.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.848 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -54.55 -38.04 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -51.59 38.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.914 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -67.2 -39.93 86.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.925 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.686 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.05 -31.68 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.9 t -69.19 -31.87 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.82 21.02 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.469 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.686 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 50.4 mt -77.62 129.15 35.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.33 -12.32 61.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.284 0.564 . . . . 0.0 110.283 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.02 -18.47 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.364 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 47.4 t80 -79.39 136.49 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -165.42 92.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.734 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -149.16 -97.35 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.136 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.19 111.45 4.37 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.68 -24.94 24.88 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.002 2.468 . . . . 0.0 114.36 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -99.39 -7.3 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.68 -53.46 18.51 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.796 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.429 ' HB3' HD21 ' A' ' 54' ' ' LEU . 5.3 m -21.43 81.86 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 125.596 1.81 . . . . 0.0 114.494 -168.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 42.4 m-80 -67.49 150.86 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.996 171.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 4.1 mp0 -55.38 -49.13 73.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.695 0.283 . . . . 0.0 110.666 -177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -67.27 -17.7 64.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.59 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.547 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 13.3 mm -70.73 -48.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.448 0.642 . . . . 0.0 109.302 171.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 49' ' ' SER . 57.1 mt -72.9 -20.26 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.328 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.7 tp10 -52.68 -53.59 45.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.278 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.71 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.06 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mt -72.59 -30.82 35.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.601 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -77.56 -37.17 51.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.509 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.4 mt -62.37 -46.06 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.179 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.512 HG13 ' HA3' ' A' ' 12' ' ' GLY . 8.0 p -65.99 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.271 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -62.33 -48.75 78.43 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 24' ' ' PRO . 95.4 mt -55.9 -53.52 55.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.63 -32.3 70.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.76 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -86.6 -47.01 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -172.622 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.439 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 N--CA 1.442 -0.912 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.02 126.28 27.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.674 0.273 . . . . 0.0 110.566 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' O ' HD11 ' A' ' 11' ' ' ILE . 61.2 mmtt -86.6 158.83 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.51 ' HB3' HG21 ' A' ' 53' ' ' ILE . 97.0 m95 -67.43 -21.33 65.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.344 0.592 . . . . 0.0 109.751 175.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -73.06 -21.06 60.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.284 175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 11' ' ' ILE . 67.8 m-20 -86.06 48.13 1.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.543 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.9 p -57.4 -30.17 64.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.928 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' NH1' ' HB ' ' A' ' 60' ' ' VAL . 8.9 tpp180 -68.99 -50.59 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -68.69 -30.3 68.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.933 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 7' ' ' ASP . 63.6 mt -68.47 -43.51 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -59.67 -40.91 97.1 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.549 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.35 -44.79 88.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 110.511 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.94 83.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.338 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.15 -38.24 78.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.42 -36.24 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.78 -43.59 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.865 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.48 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.614 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 75.6 m-85 -129.4 76.22 79.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.74 -28.1 5.5 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.466 2.111 . . . . 0.0 113.098 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.91 -1.96 57.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.921 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 1.6 tt -89.58 120.35 30.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.806 -175.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 26' ' ' THR . 12.1 t70 -61.09 120.49 54.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.228 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HG3' ' HB3' ' A' ' 65' ' ' ALA . 49.3 Cg_endo -68.49 -15.26 41.48 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.695 2.263 . . . . 0.0 113.178 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -84.12 -24.22 30.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.319 . . . . 0.0 110.93 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 23' ' ' ASP . 8.0 t -88.09 -4.0 58.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.34 0.591 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -90.49 114.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -99.12 175.38 5.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -57.6 -49.29 76.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m -68.8 -40.78 79.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.979 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.69 -47.89 84.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.242 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttp -63.15 -38.08 89.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' HG22 ' A' ' 36' ' ' ILE . 56.9 t-80 -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.927 -178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -68.22 -43.71 77.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.152 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -70.87 -44.52 66.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.13 -29.54 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.14 -176.57 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 t -67.09 -32.45 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.745 0.307 . . . . 0.0 110.868 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.81 16.47 19.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.684 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 51.9 mt -76.62 135.3 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.088 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.48 -28.02 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.59 -19.25 60.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.342 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -90.12 126.13 35.68 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.83 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.439 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 25.7 t70 -152.85 81.72 1.22 Allowed 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 15.3 t70 -160.1 -151.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.472 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 18.7 m-20 -93.2 103.49 9.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.115 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 44' ' ' ASP . 73.4 Cg_endo -79.18 -1.39 11.52 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.909 2.406 . . . . 0.0 112.348 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.15 -9.43 56.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.153 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.42 -100.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.448 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 5.3 p 42.83 62.38 1.79 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.783 0.677 . . . . 0.0 112.493 177.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.42 167.63 2.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.36 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.41 -49.55 72.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.968 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.66 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.7 mmpt? -57.07 -37.48 71.92 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.526 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 5' ' ' TRP . 48.4 mm -64.57 -50.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.477 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.91 -33.7 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.638 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.591 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.6 tt0 -59.08 -44.33 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.8 mt -72.28 -32.59 43.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.396 0.617 . . . . 0.0 110.441 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.0 tm? -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.787 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 88.8 mt -62.88 -46.02 89.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.692 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 4.2 p -64.26 -37.73 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.595 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -61.53 -44.49 96.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.566 HD23 ' HB2' ' A' ' 24' ' ' PRO . 93.0 mt -55.58 -55.68 29.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.091 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.65 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.785 -172.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -75.88 -31.72 59.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.643 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 93.9 mt -60.73 135.73 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.699 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 29.2 mmtp -99.32 161.87 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.508 ' HB3' HG23 ' A' ' 53' ' ' ILE . 60.0 m95 -62.26 -19.41 63.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -84.03 -10.64 57.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.928 0.394 . . . . 0.0 111.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.0 51.1 1.98 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.208 0.528 . . . . 0.0 109.734 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.474 ' O ' HG11 ' A' ' 60' ' ' VAL . 26.4 p -57.28 -37.34 72.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.581 -173.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.7 ttp180 -62.93 -50.39 71.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.16 -177.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -64.94 -34.38 78.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.59 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 57' ' ' ILE . 81.2 mt -69.63 -41.14 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -62.44 -43.39 99.11 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.075 -0.584 . . . . 0.0 111.852 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.81 -38.5 88.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.96 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.43 -40.94 89.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.042 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.88 -32.9 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.02 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.12 -45.78 55.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 -31.57 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.803 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -128.99 69.08 80.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.72 0.295 . . . . 0.0 111.012 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.69 -11.33 16.95 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.499 2.132 . . . . 0.0 112.394 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.34 -15.03 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.4 mt -91.53 107.3 19.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.96 127.41 93.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.297 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HG2' HD23 ' A' ' 62' ' ' LEU . 26.1 Cg_endo -62.63 -9.1 14.82 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.164 2.576 . . . . 0.0 113.976 -173.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -78.92 -24.87 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -88.46 -25.32 22.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.4 t -86.14 117.98 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -92.82 169.04 10.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -55.66 -41.28 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.183 0.302 . . . . 0.0 110.527 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -53.42 -50.3 65.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.76 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.1 -40.84 59.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -58.64 -37.7 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.311 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -62.01 -35.18 77.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.93 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.51 -58.91 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 0.0 110.276 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -64.94 -39.91 94.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.204 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.535 ' O ' HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -69.12 -30.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -177.671 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -77.58 -26.3 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.43 3.08 45.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.579 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 70.6 mt -70.09 121.41 17.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.67 -23.6 61.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.53 -19.34 45.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.061 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.594 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 78.0 t80 -91.55 131.0 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.423 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -163.43 92.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.12 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.699 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 51.3 t0 -131.15 -82.16 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.247 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -147.54 113.31 4.04 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.985 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 -20.2 29.68 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.453 2.102 . . . . 0.0 113.51 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -90.19 -37.1 14.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.998 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.91 116.9 22.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.188 0.518 . . . . 0.0 110.796 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 56.96 0.87 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 94.2 m-20 -51.59 153.24 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.887 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -49.8 -48.42 50.7 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -54.53 -42.26 70.67 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.845 0.355 . . . . 0.0 111.536 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 5' ' ' TRP . 39.1 mm -56.01 -53.62 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.927 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.58 -30.58 63.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.802 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.7 tt0 -61.11 -46.96 88.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.729 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.97 74.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 11' ' ' ILE . 59.2 mt -72.51 -37.5 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.664 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.7 mt -62.15 -43.89 97.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.501 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 9' ' ' ARG . 12.8 p -73.0 -27.97 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.686 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -66.1 -44.59 83.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 ' HG2' ' A' ' 24' ' ' PRO . 84.3 mt -59.95 -33.89 72.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.424 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.04 -46.22 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.574 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.15 -45.38 49.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.491 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.32 0.581 . . . . 0.0 110.731 -178.905 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 N--CA 1.446 -0.683 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 91.1 mt -61.97 126.02 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.627 ' HD2' ' OD2' ' A' ' 44' ' ' ASP . 16.9 mmtp -93.37 163.32 13.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.321 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.669 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 48.5 m95 -71.01 -28.5 64.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 p -77.52 -18.33 57.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 4' ' ' LYS . 4.7 m-20 -90.54 44.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.835 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.8 p -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.706 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.8 -47.72 82.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 110.063 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.07 -35.26 80.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.096 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 36' ' ' ILE . 61.1 mt -71.68 -38.29 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.82 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.664 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -56.5 -47.24 85.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.252 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.593 0.235 . . . . 0.0 110.86 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.47 74.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.081 0.467 . . . . 0.0 110.356 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.86 -38.46 86.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.689 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.59 -37.78 88.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.869 0.366 . . . . 0.0 111.044 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.1 -36.19 72.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.853 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -45.72 43.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.058 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -125.24 72.57 65.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 -32.71 3.83 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.277 1.984 . . . . 0.0 112.689 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -90.63 0.78 57.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 23' ' ' ASP . 4.1 tt -89.25 131.48 35.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' HD23 ' A' ' 22' ' ' LEU . 12.3 t70 -66.77 111.3 6.59 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.53 -6.64 17.2 Favored 'Trans proline' 0 CA--C 1.528 0.203 0 C-N-CA 122.447 2.098 . . . . 0.0 112.78 -175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -84.27 -27.46 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.787 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 t -90.05 -2.33 58.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.001 177.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -83.98 114.56 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -88.54 172.13 9.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.59 -42.56 99.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.821 0.343 . . . . 0.0 110.484 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.1 m -59.03 -48.49 81.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.16 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.62 -46.95 80.43 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.195 0.521 . . . . 0.0 110.121 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 ttp -59.44 -38.51 80.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.337 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.701 ' HA ' HG22 ' A' ' 36' ' ' ILE . 14.1 t-80 -63.34 -29.19 70.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -69.11 -38.73 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.57 -43.1 16.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.701 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -66.14 -33.0 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -176.135 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 12.5 t -76.81 -15.65 59.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 0.0 110.624 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -106.81 9.39 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.569 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 81.3 mt -66.74 144.17 56.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.811 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -75.61 -22.09 57.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.425 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -95.78 -15.64 22.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.178 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.7 t80 -78.53 136.43 37.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.23 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.445 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 33.9 t70 -167.74 102.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.42 174.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.627 ' OD2' ' HD2' ' A' ' 4' ' ' LYS . 16.1 t70 -151.13 -87.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.855 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -146.87 115.78 4.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 5.4 Cg_exo -72.98 -27.4 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.528 2.152 . . . . 0.0 111.865 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.76 35.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.829 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.56 -103.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.993 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.669 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 12.3 p 44.48 64.6 1.28 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -55.58 150.8 11.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 170.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.525 -172.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -66.1 -34.61 78.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.617 HG21 ' HB3' ' A' ' 5' ' ' TRP . 38.4 mm -69.15 -47.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.582 0.706 . . . . 0.0 109.456 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 49' ' ' SER . 65.9 mt -61.66 -31.89 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.497 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.5 tt0 -58.4 -48.27 81.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.813 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.92 78.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.74 -39.96 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.295 0.569 . . . . 0.0 110.311 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.1 tm? -67.97 -38.07 82.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.785 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -62.9 -47.65 82.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.664 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -66.49 -31.54 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.751 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -65.0 -48.33 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HG ' HD13 ' A' ' 58' ' ' LEU . 82.6 mt -57.44 -48.36 79.37 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.183 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.99 -39.42 74.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.811 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.3 -41.66 60.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.757 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.02 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.456 ' HB3' HG12 ' A' ' 11' ' ' ILE . 91.1 mt -67.36 113.85 5.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 172.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -92.32 161.52 14.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.535 ' HB3' HD12 ' A' ' 53' ' ' ILE . 3.3 m95 -66.06 -12.17 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -85.98 -16.84 37.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 51.7 m-20 -89.8 47.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.821 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 p -51.75 -39.33 58.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.407 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.615 ' HA ' HG21 ' A' ' 60' ' ' VAL . 16.0 ttt180 -72.09 -48.43 44.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.654 0.264 . . . . 0.0 110.461 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 35.1 mt-10 -63.55 -25.51 68.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 3' ' ' LEU . 67.0 mt -78.08 -42.93 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.098 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.13 97.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.856 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.48 -42.18 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.653 0.264 . . . . 0.0 110.802 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.36 84.83 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.14 0.495 . . . . 0.0 110.751 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 58.3 mt -64.2 -47.94 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.797 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -62.75 -44.19 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.172 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.15 -41.16 82.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.394 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.25 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.707 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -124.66 72.39 60.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.331 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.15 -12.43 15.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.092 1.861 . . . . 0.0 111.221 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.18 -6.63 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.48 130.15 56.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.434 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -84.63 123.52 74.27 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HB3' ' CD2' ' A' ' 61' ' ' TRP . 32.8 Cg_endo -64.62 -10.85 26.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.042 2.495 . . . . 0.0 111.927 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -60.43 -45.7 92.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.442 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -90.25 -5.61 56.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.143 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.2 t -81.77 118.68 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -85.53 166.58 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.91 177.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -60.95 -38.58 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.99 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -57.38 -43.02 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.64 -44.95 55.54 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.29 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.235 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' HA ' HG22 ' A' ' 36' ' ' ILE . 17.8 t-80 -61.94 -31.92 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.14 -45.45 81.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.203 0.525 . . . . 0.0 109.693 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -74.43 -42.5 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.052 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -63.18 -33.95 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.712 -178.261 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 m -75.1 -21.1 59.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.039 0.447 . . . . 0.0 110.98 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -87.99 -10.82 49.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.359 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 68.7 mt -67.29 127.48 32.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.155 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.55 -18.98 58.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.57 -20.23 60.02 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.443 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -85.31 133.79 34.13 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.929 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.36 74.08 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.744 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -139.29 -90.48 0.19 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -145.86 109.87 4.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 122.319 -0.238 . . . . 0.0 110.695 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.99 -5.21 15.69 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.245 1.963 . . . . 0.0 113.391 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -100.67 -38.32 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.282 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.04 58.67 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.311 0.577 . . . . 0.0 111.252 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' HD21 ' A' ' 54' ' ' LEU . 13.9 m -101.96 55.36 0.8 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -60.75 157.3 15.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.613 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.27 -43.86 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -169.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 52' ' ' LYS . 1.9 tmmm? -52.14 -43.37 64.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.019 0.438 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 5' ' ' TRP . 47.1 mm -62.56 -59.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.139 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 49' ' ' SER . 85.0 mt -66.31 -29.25 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.433 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -61.97 -52.75 62.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.491 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 60' ' ' VAL . . . -57.97 -36.91 73.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.945 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -65.1 -39.29 92.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.292 -178.743 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.6 mt -58.91 -41.17 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG21 ' HA ' ' A' ' 9' ' ' ARG . 80.6 t -61.37 -46.78 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.459 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.452 ' CD2' ' HB3' ' A' ' 24' ' ' PRO . 5.4 t90 -60.83 -42.69 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.29 -30.06 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.228 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -82.4 -36.44 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.549 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 39.2 mt-10 -85.86 -21.18 28.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.588 -179.191 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 95.8 mt -74.04 129.1 37.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.905 0.383 . . . . 0.0 110.802 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 44' ' ' ASP . 67.3 mmtt -105.2 174.15 6.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 171.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -71.64 -19.3 62.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.487 0.66 . . . . 0.0 109.516 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 m -67.37 -24.85 65.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.213 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 29.9 m-20 -90.44 41.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -59.55 -30.84 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.754 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -70.2 -49.83 46.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.547 . . . . 0.0 109.762 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 19.6 mp0 -59.97 -38.96 84.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.444 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.7 mt -66.78 -39.42 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.589 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.67 -42.37 97.84 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.857 176.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.47 -41.91 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.16 76.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.141 0.496 . . . . 0.0 111.043 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 54.7 mt -65.06 -44.09 90.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.403 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 58.8 t80 -71.73 -27.83 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.02 -37.26 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.24 -36.7 46.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.343 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -129.53 70.84 82.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.304 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.2 -29.55 4.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.124 1.883 . . . . 0.0 111.898 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.71 46.22 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.818 0.818 . . . . 0.0 109.915 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.93 132.78 15.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.612 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.33 118.55 72.22 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.3 . . . . 0.0 110.497 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.556 ' HG2' HD23 ' A' ' 62' ' ' LEU . 40.2 Cg_endo -69.2 -4.98 14.75 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.535 2.157 . . . . 0.0 112.317 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.82 -31.62 25.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.779 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -82.26 -24.69 34.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.131 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.0 123.7 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.74 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -95.59 177.13 5.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.911 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -68.34 -35.23 77.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -68.38 -47.55 67.06 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.996 0.427 . . . . 0.0 110.025 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.433 ' SD ' HD11 ' A' ' 15' ' ' LEU . 13.8 tmm? -62.97 -44.17 96.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.677 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.595 ' HA ' HG22 ' A' ' 36' ' ' ILE . 61.1 t-80 -61.48 -32.81 72.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -58.46 -49.16 78.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 0.0 110.171 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -73.83 -43.09 59.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.824 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.688 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.45 -23.79 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 -177.708 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 t -72.32 -28.62 63.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.88 18.07 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.549 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.688 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 33.8 mt -63.34 116.68 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.68 -34.15 70.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.581 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' OD2' ' HG ' ' A' ' 3' ' ' LEU . 36.4 t70 -82.13 -17.42 46.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.433 . . . . 0.0 110.96 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 86.8 t80 -77.65 130.95 37.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -152.62 90.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.884 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' ' 4' ' ' LYS . 32.8 t70 -152.55 -94.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.537 173.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.32 106.55 4.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.633 0.254 . . . . 0.0 110.462 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.32 -27.33 84.66 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.924 2.416 . . . . 0.0 114.067 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -97.01 -0.41 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -172.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.05 28.15 1.24 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -77.02 67.58 3.03 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.608 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.521 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 64.9 m-20 -54.07 157.15 2.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.613 173.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -52.73 -56.82 12.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.613 0.244 . . . . 0.0 111.584 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 55' ' ' GLU . 67.1 mmtt -68.15 -21.04 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.256 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.55 -54.85 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.49 -34.47 74.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.632 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.4 tt0 -58.73 -50.43 73.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.47 73.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 111.145 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.64 -35.58 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -73.82 -39.24 64.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.792 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.682 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.589 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -67.15 -32.22 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -63.91 -47.31 81.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 24' ' ' PRO . 96.1 mt -58.24 -43.06 87.6 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.933 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.04 -34.02 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.674 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -86.32 -22.12 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.27 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.37 119.98 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.956 0.407 . . . . 0.0 111.271 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -92.15 151.32 20.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.448 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.632 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 84.9 m95 -66.4 -16.43 64.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.611 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -77.5 -6.95 55.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 43.1 m-20 -106.77 48.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.924 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -63.26 -27.53 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.784 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 37.3 ttp180 -73.72 -45.85 49.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 18.5 mp0 -56.61 -44.97 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.468 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.71 -35.97 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.44 -40.17 95.8 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.941 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 43.2 mt-10 -60.47 -46.48 89.93 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.5 -46.2 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.319 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -68.15 -47.32 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.72 -31.71 69.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.0 111.195 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -78.29 -38.18 43.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.695 0.283 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.35 55.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.834 0.35 . . . . 0.0 111.113 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 96.7 m-85 -127.64 68.64 74.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.221 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -18.56 14.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.008 1.805 . . . . 0.0 111.648 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -90.88 6.64 43.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.351 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 4.4 mm? -108.6 134.42 51.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.122 0.487 . . . . 0.0 110.893 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 26' ' ' THR . 13.7 t70 -85.37 122.39 73.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.164 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HG2' HD23 ' A' ' 62' ' ' LEU . 33.0 Cg_endo -65.02 -15.72 51.89 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.806 2.337 . . . . 0.0 113.12 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -84.09 -31.27 25.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.705 0.288 . . . . 0.0 110.96 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -87.11 -17.81 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.756 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 23' ' ' ASP . 91.6 t -82.2 105.58 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -86.7 177.4 7.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.232 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.587 0.232 . . . . 0.0 110.864 -176.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -36.28 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.503 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.74 -49.03 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.995 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.5 -35.55 63.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.734 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.5 -51.88 15.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.008 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -61.91 -47.21 85.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.966 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' O ' HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -65.97 -35.39 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.829 -176.425 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 84.5 m -79.08 -11.89 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.062 0.458 . . . . 0.0 110.922 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -96.36 -4.64 41.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.369 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 80.7 mt -60.46 141.16 56.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.364 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.15 -36.97 80.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.356 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -96.57 -2.65 44.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 37' ' ' CYS . 58.1 t80 -77.65 117.26 18.89 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.507 169.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -161.53 83.89 0.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -144.7 -80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.016 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.32 103.42 4.34 Favored Pre-proline 0 C--N 1.33 -0.25 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.088 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.54 2.25 8.52 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.946 2.431 . . . . 0.0 113.037 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -104.42 -35.34 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.41 13.79 9.28 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.632 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 3.8 p -76.6 53.62 0.89 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.701 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -61.49 166.18 4.26 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.924 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.34 -45.81 80.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -69.25 -29.73 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.407 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 0.0 109.813 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.41 -35.61 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.378 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.5 tt0 -61.5 -44.14 97.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.61 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.8 mt -79.91 -29.83 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.497 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -37.19 63.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.807 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.7 mt -61.62 -41.84 98.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.796 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.42 -33.42 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 4.3 t90 -64.07 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.2 mt -59.6 -46.17 89.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.433 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.82 -37.99 73.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.627 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.58 -20.8 58.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.502 178.165 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.574 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 96.1 mt -66.56 102.36 0.89 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.956 0.408 . . . . 0.0 110.796 177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 73.8 mmtt -91.86 154.09 19.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.515 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.417 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 34.0 m95 -61.31 -25.33 67.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.528 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -6.87 59.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.08 0.467 . . . . 0.0 111.247 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.8 m-20 -107.91 45.08 1.03 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.221 175.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -57.65 -30.46 65.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.563 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.4 ttp180 -66.16 -46.64 76.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.6 -36.59 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.042 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.467 HG12 ' HB3' ' A' ' 3' ' ' LEU . 61.2 mt -69.0 -39.78 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.757 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.11 -47.54 88.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.086 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.98 -35.92 81.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.446 0.165 . . . . 0.0 110.673 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.34 90.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.19 0.519 . . . . 0.0 110.847 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 39' ' ' LEU . 37.5 mt -68.35 -39.72 81.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.961 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -70.62 -33.45 71.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.83 -41.24 75.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 -35.33 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.65 78.44 74.88 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.482 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.25 -35.63 2.22 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.839 2.359 . . . . 0.0 112.486 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.86 -3.02 59.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -89.82 120.66 31.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.186 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 25' ' ' LYS . 18.8 t70 -75.49 119.29 76.35 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.86 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HG2' HD23 ' A' ' 62' ' ' LEU . 39.4 Cg_endo -66.65 -10.96 29.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.06 2.507 . . . . 0.0 113.387 -175.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 49.1 mttm -83.87 -24.7 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -88.62 -7.62 56.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 110.259 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.29 105.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.892 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -87.39 169.31 12.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HE1' ' HA ' ' A' ' 55' ' ' GLU . 77.6 m-85 -57.38 -38.36 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 0.0 111.208 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -64.66 -42.69 95.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.284 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.51 -50.26 65.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.16 0.505 . . . . 0.0 109.89 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -59.55 -39.11 82.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.619 ' HA ' HG22 ' A' ' 36' ' ' ILE . 34.5 t-80 -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.7 -39.12 90.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.688 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -86.5 -37.44 18.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.83 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.624 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.16 -35.87 65.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.679 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.13 -12.73 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.276 0.56 . . . . 0.0 110.241 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -115.55 24.79 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.978 0.894 . . . . 0.0 109.576 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 63.6 mt -75.87 137.63 40.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.965 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.96 -34.32 77.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.246 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -92.5 -10.97 35.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.21 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.707 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 76.2 t80 -61.88 127.39 31.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.574 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 25.9 t70 -148.34 79.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.587 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.509 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 45.9 t0 -170.05 172.49 6.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.12 107.29 4.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 122.796 0.438 . . . . 0.0 111.779 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 44' ' ' ASP . 29.4 Cg_endo -69.71 -9.18 25.5 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.125 2.55 . . . . 0.0 113.348 -175.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.1 -36.97 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.31 24.82 0.42 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.388 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.462 ' HB2' HD21 ' A' ' 54' ' ' LEU . 55.4 p -76.52 65.78 2.41 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.536 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.1 m-80 -54.28 155.55 3.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.479 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.51 -50.0 73.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -172.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.86 -19.49 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.357 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 30.5 mm -67.85 -54.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 49' ' ' SER . 59.5 mt -65.45 -33.33 75.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.315 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -57.59 -48.92 78.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.681 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.61 79.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.5 -43.0 87.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.06 -41.08 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -61.03 -46.44 90.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.514 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.757 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.4 p -69.57 -29.79 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.924 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -63.41 -46.84 84.54 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 24' ' ' PRO . 89.6 mt -56.4 -43.36 79.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.594 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.51 -38.91 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.894 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.63 -31.92 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.428 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.143 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.58 HD13 HG12 ' A' ' 11' ' ' ILE . 94.7 mt -59.79 133.08 55.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.958 0.409 . . . . 0.0 111.464 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -91.18 152.46 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.646 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 33.7 m95 -71.19 -12.2 61.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.888 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -101.44 6.97 42.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.511 0.672 . . . . 0.0 110.334 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.44 64.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.372 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.409 ' O ' HG11 ' A' ' 60' ' ' VAL . 21.4 p -62.48 -38.32 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.907 -170.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.681 ' HA ' HG21 ' A' ' 60' ' ' VAL . 48.0 ttt85 -66.13 -47.73 73.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.294 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.58 HG12 HD13 ' A' ' 3' ' ' LEU . 60.1 mt -82.05 -40.1 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.964 0.412 . . . . 0.0 110.479 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.96 -44.86 95.9 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.88 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.17 -36.44 84.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.424 0.154 . . . . 0.0 110.911 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.49 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.385 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD11 ' SD ' ' A' ' 32' ' ' MET . 35.2 mt -65.58 -43.48 89.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.921 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -63.79 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.64 -41.86 65.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.166 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -125.6 77.39 69.39 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.0 -32.85 3.02 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.878 2.385 . . . . 0.0 112.429 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -89.95 -1.03 57.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.235 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 tt -102.22 118.1 36.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 13.3 m-20 -79.37 124.93 83.95 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HB3' ' CD2' ' A' ' 61' ' ' TRP . 19.3 Cg_endo -59.54 -17.21 40.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.15 2.566 . . . . 0.0 111.916 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.28 -34.22 76.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.333 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -91.3 7.77 39.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.613 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t -103.09 123.19 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.059 0.457 . . . . 0.0 110.69 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -93.53 172.54 8.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.845 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.91 -38.51 91.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.844 0.354 . . . . 0.0 110.819 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 20.8 p -63.09 -36.67 84.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.208 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.65 -53.62 13.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.052 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.417 ' SD ' HD11 ' A' ' 15' ' ' LEU . 8.5 tmm? -59.52 -39.23 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.184 -177.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -54.59 -37.38 65.48 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 mm100 -78.08 -41.73 34.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.038 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 36.7 m0 -69.75 -39.15 76.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.292 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -73.42 -33.25 39.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 -179.697 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -70.16 -22.45 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 111.058 -177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.82 30.23 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.361 0.601 . . . . 0.0 110.59 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.656 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 58.7 mt -80.89 136.71 36.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.8 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.03 -32.22 73.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.08 -18.23 37.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.018 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.656 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 72.5 t80 -88.31 136.12 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -170.3 74.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.58 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -129.03 -81.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.128 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -145.1 98.46 4.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.96 -11.27 19.8 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.751 2.301 . . . . 0.0 113.512 -175.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -102.65 -23.44 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.55 -93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 11.4 p 43.83 63.31 1.63 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 37.8 m-80 -59.0 161.16 5.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.66 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.37 -50.3 62.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -55.36 -31.03 61.43 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 41.1 mm -68.54 -55.4 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.05 -36.38 81.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.593 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.7 tt0 -63.32 -46.19 87.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.31 81.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.872 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.24 -33.0 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.527 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.3 tm? -71.01 -40.31 71.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 94.2 mt -62.58 -41.73 99.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 9' ' ' ARG . 13.9 p -71.32 -31.77 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.425 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.444 ' CD2' ' HB3' ' A' ' 24' ' ' PRO . 5.7 t90 -64.71 -42.85 94.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.3 mt -60.79 -41.35 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.642 176.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.57 -37.44 82.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.017 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.08 -16.29 56.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.528 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 179.547 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.454 HD13 HG12 ' A' ' 11' ' ' ILE . 92.8 mt -76.01 134.66 40.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HG2' ' OD2' ' A' ' 7' ' ' ASP . 4.7 mmtm -95.98 173.31 7.5 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.508 ' HB3' HD12 ' A' ' 53' ' ' ILE . 52.8 m95 -74.76 -19.07 60.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.525 . . . . 0.0 110.387 174.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -80.31 -12.13 59.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.139 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.604 ' OD2' ' HG2' ' A' ' 4' ' ' LYS . 93.8 m-20 -86.22 52.4 2.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.288 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 60' ' ' VAL . 6.9 p -62.79 -29.4 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.597 -176.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -73.88 -55.02 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 109.841 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 32.6 mp0 -58.51 -39.88 81.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.802 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 HD13 ' A' ' 3' ' ' LEU . 50.2 mt -70.96 -42.95 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.508 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.86 -45.9 93.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.225 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HG2' ' OE2' ' A' ' 64' ' ' GLU . 42.8 mt-10 -65.67 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . -67.67 -39.45 84.49 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.178 0.513 . . . . 0.0 111.371 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.17 -39.9 75.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.776 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -72.39 -24.3 61.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.294 0.568 . . . . 0.0 109.8 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 8.8 t70 -66.02 -54.45 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.578 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.64 72.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.365 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -128.54 73.04 80.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.656 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 -38.42 3.57 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.347 2.031 . . . . 0.0 112.423 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.09 31.17 1.12 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tt -122.99 121.72 36.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 9.6 m-20 -78.71 118.56 73.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.501 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.68 ' HG2' HD23 ' A' ' 62' ' ' LEU . 24.0 Cg_endo -62.99 -10.85 21.97 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.987 2.458 . . . . 0.0 111.942 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -54.8 -46.07 74.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.588 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 p -92.19 9.46 33.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.051 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.09 114.03 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.329 . . . . 0.0 110.796 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -94.3 179.74 5.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.404 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.33 -43.72 98.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -172.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.6 m -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.126 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.8 -48.21 81.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.218 0.532 . . . . 0.0 110.335 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.497 ' HE1' ' HB ' ' A' ' 57' ' ' ILE . 14.1 ttp -61.31 -36.89 81.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.007 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.722 ' HA ' HG22 ' A' ' 36' ' ' ILE . 33.7 t-80 -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 30' ' ' THR . 31.6 mm-40 -60.65 -44.44 96.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.223 0.535 . . . . 0.0 110.181 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -84.43 -38.96 19.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.269 -174.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.722 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -71.22 -31.13 43.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.277 -176.369 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.8 t -72.97 -20.11 61.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 0.0 110.356 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.69 37.82 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.678 0.751 . . . . 0.0 110.166 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 60.4 mt -90.45 157.76 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.453 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.44 -29.55 24.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.733 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.06 -17.59 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.167 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.659 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 81.6 t80 -92.19 131.4 37.46 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.773 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -170.85 97.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.104 172.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.73 -76.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.864 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -145.7 104.53 4.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.154 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.57 -5.71 17.53 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.361 2.041 . . . . 0.0 113.766 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -104.61 -22.2 13.29 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m 54.74 63.74 2.04 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.799 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.587 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 75.1 m-20 -59.3 154.38 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.665 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.92 -47.94 81.38 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.57 -176.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -67.97 -24.73 65.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 0.0 111.013 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.587 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 17.9 mm -60.82 -57.06 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.684 172.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.38 -33.01 74.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.1 tt0 -57.47 -50.61 72.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.003 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' HE1' ' A' ' 32' ' ' MET . 66.5 mt -71.85 -38.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.292 0.568 . . . . 0.0 110.568 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.4 tm? -67.94 -39.6 83.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.845 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 72.1 mt -64.99 -40.88 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.744 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.508 HG13 ' HA3' ' A' ' 12' ' ' GLY . 8.7 p -71.52 -32.74 47.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -64.85 -42.64 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD23 ' HG2' ' A' ' 24' ' ' PRO . 64.0 mt -54.44 -50.9 66.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.21 173.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.55 -31.43 56.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.541 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' HG2' ' A' ' 13' ' ' GLU . 51.0 mt-10 -86.0 -26.46 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.352 . . . . 0.0 111.523 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.58 139.27 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -105.61 154.11 20.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.213 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.54 ' HB3' HD12 ' A' ' 53' ' ' ILE . 21.3 m95 -56.79 -31.45 64.68 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.365 . . . . 0.0 111.374 178.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -65.38 -27.64 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.21 60.56 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.462 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' HG11 ' A' ' 60' ' ' VAL . 6.5 p -59.96 -36.01 76.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.039 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.721 ' HA ' HG21 ' A' ' 60' ' ' VAL . 40.6 ttt85 -67.91 -49.37 62.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.351 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.13 -31.71 72.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 82.8 mt -73.78 -42.69 54.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.293 176.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.657 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.3 -42.19 97.22 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.95 -39.29 93.26 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.08 86.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 110.73 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 40.3 mt -65.15 -37.86 88.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.928 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -75.84 -39.11 57.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.354 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.77 -44.81 80.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.06 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.88 -26.1 31.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 64.7 m-85 -131.61 66.24 77.75 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 120.456 0.17 . . . . 0.0 111.223 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.79 -22.34 17.81 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.787 1.658 . . . . 0.0 111.355 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.92 19.32 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.712 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 1.4 tt -122.73 112.85 18.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.13 123.47 82.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.738 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.587 ' HB2' HD23 ' A' ' 62' ' ' LEU . 74.2 Cg_endo -76.3 -10.06 19.07 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 113.417 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -82.7 -28.59 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -90.21 14.35 12.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -106.3 120.16 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.66 173.55 7.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.37 -41.34 89.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.748 0.309 . . . . 0.0 110.617 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.8 -39.27 93.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.221 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.61 -49.89 60.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.377 0.608 . . . . 0.0 109.814 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ttp -63.6 -34.5 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.216 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 37.8 t-80 -61.0 -26.22 67.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.217 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.23 -60.54 2.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.126 0.489 . . . . 0.0 110.133 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -63.08 -36.64 84.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.338 -175.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.89 -30.58 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.488 -177.228 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 39.8 t -68.22 -40.08 82.18 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.524 0.202 . . . . 0.0 110.843 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -109.9 29.71 7.37 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.499 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.683 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 32.3 mt -56.49 139.95 47.66 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.19 -26.13 64.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.514 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -111.17 -4.9 14.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.683 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 86.5 t80 -90.5 137.22 32.53 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.794 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -170.07 86.5 0.13 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.039 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -136.53 -88.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.475 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -145.35 112.85 4.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.26 -1.38 11.5 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.232 1.954 . . . . 0.0 114.023 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -113.09 -37.0 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.386 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.21 34.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.498 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 7.1 p -82.33 52.6 2.07 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -58.75 166.56 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.054 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.65 -41.51 81.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -68.26 -27.66 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' A' ' 5' ' ' TRP . 24.0 mm -68.75 -55.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.418 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.67 -33.84 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.311 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.3 tt0 -61.61 -44.82 96.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.794 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.74 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 111.015 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.91 -38.46 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.5 tm? -64.88 -42.99 94.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -60.71 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.472 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' A' ' 9' ' ' ARG . 12.6 p -65.87 -33.38 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.755 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -63.47 -42.6 98.6 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.587 HD23 ' HB2' ' A' ' 24' ' ' PRO . 95.7 mt -57.02 -54.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.252 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.09 -34.16 77.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.941 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -77.39 -33.97 55.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.26 132.51 39.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.514 ' HB2' ' OD2' ' A' ' 7' ' ' ASP . 31.9 mmtm -90.03 157.31 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.282 172.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -70.16 -16.48 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.501 . . . . 0.0 110.493 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -76.72 -19.68 57.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.393 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.514 ' OD2' ' HB2' ' A' ' 4' ' ' LYS . 58.1 m-20 -86.08 63.56 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.272 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -53.7 -44.82 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 32.5 ttt180 -70.45 -47.91 58.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.511 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.77 -23.67 67.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.963 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.565 HG21 HD13 ' A' ' 57' ' ' ILE . 77.4 mt -77.09 -43.5 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.61 96.75 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.895 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 69.8 mt-10 -58.47 -41.49 85.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.61 99.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.5 -38.66 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -69.73 -36.87 76.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.752 0.31 . . . . 0.0 110.51 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.11 -38.79 92.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.139 0.495 . . . . 0.0 110.68 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.97 -40.99 26.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.419 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 56.6 m-85 -127.78 75.91 77.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.295 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.75 -28.07 3.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.271 1.981 . . . . 0.0 112.387 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -90.72 -6.05 54.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -92.59 114.27 26.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.767 -177.649 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' THR . 25.5 m-20 -64.73 119.65 59.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.559 ' HG2' HD23 ' A' ' 62' ' ' LEU . 19.3 Cg_endo -60.3 -15.07 32.87 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.018 2.479 . . . . 0.0 112.598 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.2 -38.76 88.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' ASP . 14.9 t -91.14 5.66 48.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.058 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.41 110.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -84.18 165.72 18.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.235 -0.438 . . . . 0.0 109.949 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -59.9 -34.85 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 110.42 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 1.7 p -62.64 -53.0 61.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.102 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.84 -49.19 78.68 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 109.968 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -59.58 -41.18 89.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.652 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.637 ' HA ' HG22 ' A' ' 36' ' ' ILE . 41.5 t-80 -65.48 -35.09 79.87 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.751 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 30' ' ' THR . 88.2 mm-40 -60.96 -49.37 77.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.901 0.382 . . . . 0.0 110.543 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -73.77 -41.4 62.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.961 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.704 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.3 -32.08 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.745 -176.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 54.0 t -74.57 -18.23 60.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.399 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -111.09 25.48 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.491 0.662 . . . . 0.0 110.069 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.704 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 38.8 mt -80.38 144.57 32.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.541 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.22 -33.22 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.533 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.95 -18.91 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.317 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 70.7 t80 -79.23 128.94 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.919 0.39 . . . . 0.0 110.67 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -169.98 94.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -158.97 -76.29 0.07 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.2 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 9.0 t70 -145.9 113.44 4.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.041 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 3.0 Cg_endo -78.29 -24.33 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.79 2.327 . . . . 0.0 112.765 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -84.97 -36.83 21.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.68 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.6 87.0 6.29 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.249 0.547 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -127.98 61.22 1.44 Allowed 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.535 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.7 t30 -48.2 141.18 6.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.559 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -48.48 -51.38 27.45 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 52' ' ' LYS . 18.1 ptpt -61.24 -21.48 63.93 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 19.8 mm -66.97 -56.19 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.472 0.653 . . . . 0.0 109.572 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.07 -30.81 70.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.742 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 35.7 tt0 -58.48 -47.84 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.782 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.41 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.565 HD13 HG21 ' A' ' 11' ' ' ILE . 64.7 mt -69.9 -37.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.64 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.0 tm? -68.33 -38.46 81.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.5 mt -62.47 -46.8 86.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.571 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 9' ' ' ARG . 13.7 p -64.25 -36.23 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -62.29 -42.62 99.51 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 24' ' ' PRO . 98.3 mt -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.52 -37.86 74.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.434 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -77.87 -42.31 33.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.211 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.467 -177.937 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 88.3 mt -68.43 115.28 7.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.825 0.821 . . . . 0.0 109.326 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -96.54 164.93 12.4 Favored 'General case' 0 N--CA 1.417 -2.124 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.47 -173.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.476 ' CE3' HG21 ' A' ' 53' ' ' ILE . 25.6 m95 -75.38 53.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.909 0.861 . . . . 0.0 109.823 173.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -146.67 -35.76 0.25 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.641 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 4.4 m-20 -78.81 51.91 1.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.531 ' O ' HG11 ' A' ' 60' ' ' VAL . 13.7 p -59.25 -36.29 75.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.626 HH11 HG23 ' A' ' 60' ' ' VAL . 24.7 tpp180 -76.11 -38.47 56.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.195 0.522 . . . . 0.0 109.706 -177.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 10.8 mm-40 -67.75 -44.29 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.259 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.481 HG12 HD13 ' A' ' 3' ' ' LEU . 77.1 mt -67.84 -29.89 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -60.73 -37.08 92.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.46 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.31 -34.16 75.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.1 86.98 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.339 0.59 . . . . 0.0 110.622 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.17 -45.04 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.871 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.92 -38.53 83.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.794 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.05 -45.06 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.511 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.85 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -128.84 78.23 76.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.532 0.206 . . . . 0.0 110.695 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.97 -29.94 3.94 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.375 2.05 . . . . 0.0 112.907 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.33 2.76 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -99.29 134.14 42.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.732 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.6 m-20 -71.92 114.21 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HG2' HD23 ' A' ' 62' ' ' LEU . 30.1 Cg_endo -65.21 -18.42 61.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.548 2.165 . . . . 0.0 110.955 174.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.62 -36.78 68.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.5 m -80.25 -24.85 39.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.475 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 23' ' ' ASP . 85.8 t -70.11 126.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.19 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -98.08 174.24 6.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -62.31 -39.19 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.7 m -62.83 -44.4 96.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.103 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -62.13 -56.28 20.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.527 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 36' ' ' ILE . 13.3 tmm? -59.56 -40.03 85.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.656 -176.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.515 ' HA ' HG22 ' A' ' 36' ' ' ILE . 28.9 t-80 -60.55 -33.07 72.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -67.47 -40.58 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -79.0 -42.51 26.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.188 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -64.66 -31.28 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.029 0.442 . . . . 0.0 109.905 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.63 -30.98 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.125 0.488 . . . . 0.0 110.157 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.53 35.57 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.303 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.644 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 72.0 mt -86.62 136.11 33.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.3 pm0 -75.48 -22.47 57.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.63 -11.28 29.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.468 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.644 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 t80 -81.38 134.31 35.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.95 98.49 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.26 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -161.6 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.446 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -145.72 98.98 4.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.945 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.99 -15.04 26.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.498 2.132 . . . . 0.0 113.135 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -91.59 -31.89 15.72 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.527 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.12 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.77 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB3' HD21 ' A' ' 54' ' ' LEU . 6.2 m 50.12 64.42 1.8 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.681 0.613 . . . . 0.0 111.611 176.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.846 ' HB2' HG12 ' A' ' 53' ' ' ILE . 1.8 m-20 -50.35 148.93 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.589 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.41 -35.57 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -56.72 -41.01 76.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.307 0.575 . . . . 0.0 109.921 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.846 HG12 ' HB2' ' A' ' 50' ' ' ASN . 13.2 mm -64.92 -55.99 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.127 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 49' ' ' SER . 89.6 mt -59.9 -38.3 81.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.494 -175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.0 tt0 -66.39 -42.03 88.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.304 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.28 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.973 0.416 . . . . 0.0 110.627 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 53' ' ' ILE . 63.8 mt -72.33 -29.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.399 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -73.67 -38.38 64.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.521 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 86.0 mt -63.4 -43.93 96.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.074 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.626 HG23 HH11 ' A' ' 9' ' ' ARG . 2.4 p -65.75 -34.31 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.532 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 5.5 t90 -64.36 -39.01 93.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.542 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.8 mt -61.81 -41.66 98.03 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.846 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -55.44 -46.31 76.76 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.362 . . . . 0.0 111.653 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.19 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.817 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.837 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 41' ' ' ASP . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.2 105.59 7.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HE3' ' OD2' ' A' ' 44' ' ' ASP . 29.9 mmtp -77.91 146.95 35.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.44 ' HB3' HG23 ' A' ' 53' ' ' ILE . 98.1 m95 -64.06 -22.39 66.91 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.947 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -67.18 -26.56 66.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.332 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 27.1 m-20 -87.79 62.27 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 109.923 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -58.17 -35.64 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.007 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -73.05 -41.9 63.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 7' ' ' ASP . 5.2 mm-40 -61.26 -34.58 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.719 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 68.9 mt -82.7 -38.74 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.541 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.93 -45.01 94.2 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.292 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -71.78 -28.9 63.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.551 0.215 . . . . 0.0 110.616 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.54 99.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.279 0.562 . . . . 0.0 110.318 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 46.6 mt -67.07 -34.21 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.507 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.51 -34.41 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.416 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -67.88 -48.66 65.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.466 177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.45 69.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.687 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -123.89 75.67 57.38 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.11 -15.03 13.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.264 1.976 . . . . 0.0 111.502 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -90.41 -13.9 34.0 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.777 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.55 137.55 33.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.114 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 27' ' ' VAL . 10.9 m-20 -79.61 119.83 78.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.962 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HG3' ' HB3' ' A' ' 65' ' ' ALA . 39.5 Cg_endo -67.33 -18.16 49.89 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.046 1.831 . . . . 0.0 111.223 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG2' HD22 ' A' ' 62' ' ' LEU . 54.6 mtmt -84.27 -18.28 36.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.76 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 23' ' ' ASP . 18.7 p -91.18 -22.92 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 174.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 23' ' ' ASP . 67.5 t -72.79 132.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.618 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.536 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.6 mmp_? -101.47 168.68 9.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 173.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 42.6 m-85 -59.44 -44.3 92.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -174.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -58.12 -42.54 86.01 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.516 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -64.46 -48.37 75.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.128 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -59.3 -38.23 79.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.412 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' HA ' HG22 ' A' ' 36' ' ' ILE . 45.0 t60 -60.44 -24.02 64.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.95 -39.41 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.301 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -80.65 -44.15 19.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.768 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.36 -31.98 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -176.16 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.19 -20.77 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.83 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.65 26.7 10.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.502 0.668 . . . . 0.0 110.377 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 77.9 mt -81.74 138.6 35.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.556 ' O ' ' HA3' ' A' ' 2' ' ' GLY . 13.4 m-20 -84.51 -18.67 35.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.717 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -81.5 120.71 25.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.053 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.65 57.47 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.587 ' OD2' ' HE3' ' A' ' 4' ' ' LYS . 4.3 m-20 -137.02 -91.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -169.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -120.55 84.55 36.5 Favored Pre-proline 0 C--O 1.222 -0.349 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.803 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.45 -2.18 12.36 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 121.812 1.675 . . . . 0.0 111.718 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -84.25 -18.27 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.988 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 129.17 48.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.083 0.468 . . . . 0.0 111.568 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -157.77 55.92 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.763 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.556 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 45.7 t30 -57.3 153.56 12.01 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.695 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.98 -50.87 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.516 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -64.54 -26.02 68.24 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.556 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.59 -53.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 171.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.4 mt -66.56 -34.73 78.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.377 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 33.6 tt0 -62.56 -42.91 99.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.317 -177.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.12 84.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.151 0.5 . . . . 0.0 110.759 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.26 -33.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.477 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -72.34 -41.73 66.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.974 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -60.54 -44.27 96.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.831 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -68.05 -34.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.179 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -63.94 -39.6 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.4 mt -58.58 -49.72 76.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.56 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -74.56 -30.61 61.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -173.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.671 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.719 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 N--CA 1.441 -0.973 0 N-CA-C 112.817 -0.113 . . . . 0.0 112.817 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 90.3 mt -70.8 103.75 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.688 0.28 . . . . 0.0 110.295 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.09 151.91 18.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.444 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 81.4 m95 -66.06 -14.01 60.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -74.23 -21.94 59.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.121 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -102.12 60.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.477 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 p -61.59 -30.95 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -74.47 -40.03 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 0.0 110.396 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.6 -37.84 87.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.269 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.628 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.64 -48.22 85.89 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.69 -33.7 76.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.649 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.67 72.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.44 -34.12 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.9 -45.54 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.715 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.41 -35.84 81.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.616 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.97 -46.78 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.703 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -131.28 79.32 70.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.678 0.275 . . . . 0.0 111.575 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -80.56 -27.09 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.78 2.32 . . . . 0.0 111.67 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.92 -22.53 45.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.049 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.95 123.01 32.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.671 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 m-20 -68.19 120.34 73.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.353 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.66 -19.72 61.87 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.824 2.349 . . . . 0.0 111.749 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -67.2 -38.64 85.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.436 0.636 . . . . 0.0 109.9 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -80.84 -19.37 44.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.045 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 32' ' ' MET . 25.0 t -74.68 115.6 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.636 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -91.09 158.83 16.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -58.33 -40.72 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 118.236 0.471 . . . . 0.0 111.429 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -67.28 -44.17 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.11 -41.35 95.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.335 0.588 . . . . 0.0 110.18 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.529 ' HB2' HG12 ' A' ' 27' ' ' VAL . 22.6 ttt -57.78 -42.0 83.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.382 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 -36.73 82.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.414 0.626 . . . . 0.0 110.814 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 8.6 m0 -86.89 -47.67 8.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.82 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.597 ' O ' HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -70.69 -30.12 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.629 0.252 . . . . 0.0 111.285 -174.17 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -79.72 -12.2 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.81 -0.556 . . . . 0.0 110.377 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.27 17.16 16.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.462 0.649 . . . . 0.0 110.269 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.747 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 80.6 mt -63.75 144.13 57.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.303 0.573 . . . . 0.0 110.467 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.41 -28.65 68.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.074 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -114.49 3.75 15.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.747 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 82.9 t80 -61.13 134.37 56.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.974 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.515 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . 22.0 t70 -161.75 94.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.579 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -163.49 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.483 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -147.84 116.21 4.15 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 117.81 0.277 . . . . 0.0 110.537 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.31 -9.59 25.73 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.939 2.426 . . . . 0.0 113.911 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -101.72 -35.88 8.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.45 28.47 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 2.6 p -78.73 62.19 3.19 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.151 0.5 . . . . 0.0 109.784 174.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.561 ' HB2' HG12 ' A' ' 53' ' ' ILE . 85.9 m-20 -54.79 158.81 2.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.023 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 13.1 mp0 -58.67 -53.2 61.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.889 -174.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 55' ' ' GLU . 19.5 pttm -67.09 -18.5 65.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.504 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 50' ' ' ASN . 26.9 mm -65.87 -59.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.67 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 tt0 -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.782 178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.71 83.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.4 . . . . 0.0 110.935 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 53' ' ' ILE . 63.8 mt -71.99 -37.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -65.59 -40.51 92.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.3 mt -62.24 -41.41 98.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.781 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.7 p -75.82 -30.31 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.209 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.2 mt -54.75 -51.0 67.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.028 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.77 -30.81 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.706 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -83.83 -34.96 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 0.0 111.425 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -173.936 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.93 100.63 4.17 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 63.5 mmtt -72.09 158.14 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.743 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 67.1 m95 -60.76 -27.53 68.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 111.265 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.2 m -69.97 -22.68 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 11' ' ' ILE . 73.8 m-20 -85.33 45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -52.87 -38.12 61.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.535 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -67.3 -44.44 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.412 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 7' ' ' ASP . 68.0 mt -70.51 -37.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.67 -40.87 95.36 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.597 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.36 -47.94 80.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.63 76.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.455 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD11 ' SD ' ' A' ' 32' ' ' MET . 20.6 mt -63.49 -42.21 98.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.432 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -69.87 -37.75 76.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.37 . . . . 0.0 111.171 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.77 -44.08 57.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.998 0.427 . . . . 0.0 110.981 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 -29.92 35.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.733 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.52 74.55 74.32 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.819 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.55 -23.34 7.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.687 2.258 . . . . 0.0 112.671 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.15 -4.37 57.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.573 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.35 107.11 19.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.026 0.441 . . . . 0.0 110.66 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.1 t70 -67.83 123.1 86.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.781 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.554 ' HG2' HD23 ' A' ' 62' ' ' LEU . 23.5 Cg_endo -61.71 -19.88 66.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.163 2.576 . . . . 0.0 113.261 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 59.7 mttm -72.24 -45.96 58.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.817 0.341 . . . . 0.0 110.118 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 23' ' ' ASP . 12.2 t -77.8 -17.95 56.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 23' ' ' ASP . 69.8 t -76.09 121.97 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 176.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -91.22 163.95 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.242 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HE1' ' HA ' ' A' ' 55' ' ' GLU . 79.3 m-85 -59.34 -42.39 91.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.029 0.443 . . . . 0.0 110.172 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 6.1 m -61.57 -30.69 70.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.531 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.23 -44.85 14.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' HD11 ' A' ' 15' ' ' LEU . 14.0 tmm? -59.75 -38.19 81.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' HA ' HG22 ' A' ' 36' ' ' ILE . 48.4 t-80 -57.98 -30.9 66.4 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 30' ' ' THR . 73.1 mt-30 -68.67 -51.84 37.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.142 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.6 -38.5 67.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.196 -175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -67.17 -31.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.532 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.98 -21.15 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.281 0.562 . . . . 0.0 110.026 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.52 -7.59 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 69.6 mt -68.35 131.01 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.303 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -81.52 -15.3 55.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.95 -18.02 41.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.135 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -78.22 140.51 38.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.063 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -167.2 94.47 0.46 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.385 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 2.3 p30 -161.16 -89.77 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.221 170.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 5.9 m-20 -144.24 96.83 5.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.869 0.366 . . . . 0.0 111.298 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 45' ' ' ASP . 37.3 Cg_endo -66.24 -14.94 46.48 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 111.683 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -80.42 -14.98 57.86 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.92 -95.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.4 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.743 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 13.9 p 43.55 63.66 1.48 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.766 0.667 . . . . 0.0 112.622 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.462 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 90.0 m-20 -59.74 150.67 27.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.277 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.67 -33.54 72.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.876 -178.557 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 28.0 mtpp -61.73 -34.72 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.206 176.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.631 HG21 ' HB3' ' A' ' 5' ' ' TRP . 25.9 mm -66.01 -52.21 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.734 175.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 51' ' ' GLU . 39.7 mt -59.31 -35.92 74.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.307 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 tt0 -63.23 -46.33 87.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.877 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.85 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.994 0.426 . . . . 0.0 110.814 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.01 -37.11 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.1 tm? -70.76 -40.32 72.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.785 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.8 mt -61.36 -44.88 96.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.589 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.09 -31.32 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 24' ' ' PRO . 82.5 mt -57.88 -39.82 78.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.749 175.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.61 -47.36 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.744 -176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.73 -42.89 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.393 . . . . 0.0 111.444 -176.518 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.633 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 97.1 mt -59.92 125.68 24.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.0 111.345 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 146.6 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.616 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 53' ' ' ILE . 39.2 m95 -62.12 -29.48 70.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.15 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -66.1 -24.61 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.487 0.66 . . . . 0.0 110.099 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 11' ' ' ILE . 4.9 m-20 -99.6 50.36 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.704 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -60.91 -22.93 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -63.26 -45.51 91.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.82 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 7' ' ' ASP . 23.9 mm-40 -72.61 -32.97 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.961 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 7' ' ' ASP . 75.2 mt -67.83 -37.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.59 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.57 -45.82 94.99 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 173.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.11 -34.79 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.734 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.9 74.33 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.26 -38.94 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -70.33 -24.98 63.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.634 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.43 -46.13 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.6 -28.27 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 82.8 m-85 -130.43 78.0 75.0 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 -36.63 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.853 2.368 . . . . 0.0 112.74 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.51 -2.65 57.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 58.4 tp -90.32 118.47 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.286 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.412 ' OD2' HG22 ' A' ' 26' ' ' THR . 5.6 p-10 -76.65 138.91 66.57 Favored Pre-proline 0 N--CA 1.44 -0.949 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.529 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.62 ' HG2' HD23 ' A' ' 62' ' ' LEU . 98.2 Cg_endo -81.47 4.84 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.726 2.284 . . . . 0.0 111.716 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -77.6 -38.53 48.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.481 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.412 HG22 ' OD2' ' A' ' 23' ' ' ASP . 7.1 t -82.29 -16.94 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.101 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.08 131.12 35.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 111.535 -174.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -102.37 171.77 7.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.505 174.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.78 -48.38 79.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.724 0.297 . . . . 0.0 110.963 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 t -67.68 -33.44 74.94 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.19 -43.95 73.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.008 0.433 . . . . 0.0 110.343 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.32 -36.05 82.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.581 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' HG22 ' A' ' 36' ' ' ILE . 64.8 t-80 -60.53 -35.72 76.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.48 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -56.62 -59.72 4.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 0.0 110.098 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.094 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.585 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.39 -27.69 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.52 -44.61 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.216 -0.303 . . . . 0.0 111.318 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.63 19.07 14.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.585 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 60.8 mt -58.01 134.94 56.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.103 173.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.25 -29.75 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.13 -1.85 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.433 -175.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.513 ' CB ' ' HB2' ' A' ' 39' ' ' LEU . 62.2 t80 -81.03 114.87 20.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.807 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.14 97.17 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.166 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -164.04 -96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -145.4 94.66 5.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.24 -11.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.01 2.473 . . . . 0.0 112.505 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -83.06 -35.33 25.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.529 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.55 38.98 0.81 Allowed 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.409 ' HB3' HD21 ' A' ' 54' ' ' LEU . 14.6 m -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.586 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.5 m-20 -55.43 157.33 3.86 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.85 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.09 -53.74 54.98 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -60.32 -29.93 69.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.989 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.8 mm -58.97 -56.45 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.489 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 49' ' ' SER . 86.6 mt -69.72 -33.08 72.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.178 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 37.6 tt0 -63.31 -39.43 94.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.331 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.594 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.83 -36.22 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.368 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 tm? -69.35 -42.15 75.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.758 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.0 mt -62.49 -37.29 85.41 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.108 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.416 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.2 p -75.27 -35.44 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -66.8 -36.16 81.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.62 HD23 ' HG2' ' A' ' 24' ' ' PRO . 87.4 mt -55.49 -33.87 64.09 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.558 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.18 -43.1 18.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.656 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.83 -44.3 61.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -175.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 110.509 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 94.0 mt -60.44 124.88 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.604 0.702 . . . . 0.0 109.864 174.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -106.23 167.82 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.997 -177.183 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HB3' HD12 ' A' ' 53' ' ' ILE . 19.7 m95 -78.84 66.88 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.767 0.794 . . . . 0.0 109.61 176.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 4' ' ' LYS . 11.2 t -169.71 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.101 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 14.2 m-20 -81.24 45.49 0.85 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.943 173.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -55.24 -38.11 68.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HG3' HG21 ' A' ' 60' ' ' VAL . 9.5 ttm180 -76.44 -35.58 58.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 -178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 5.2 mm-40 -67.35 -36.75 82.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.379 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.418 HG21 HG13 ' A' ' 36' ' ' ILE . 84.1 mt -71.39 -37.08 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.029 175.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.62 -51.57 51.38 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.777 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.61 -40.18 74.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.576 0.227 . . . . 0.0 110.904 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.83 78.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.4 -39.26 68.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.5 -36.72 84.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.212 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.39 -46.64 19.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.488 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.98 64.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.335 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -130.42 68.78 81.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.987 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.75 -18.01 19.75 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.275 1.984 . . . . 0.0 111.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.61 -2.83 58.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.969 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HG ' ' CH2' ' A' ' 35' ' ' TRP . 3.3 mm? -94.82 129.9 41.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.3 m-20 -84.92 114.02 53.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HG2' HD23 ' A' ' 62' ' ' LEU . 17.8 Cg_endo -59.97 -17.58 45.29 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.811 2.341 . . . . 0.0 112.21 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -65.56 -48.22 73.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 p -87.85 -23.2 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.909 -175.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 23' ' ' ASP . 93.4 t -62.89 117.52 3.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 28' ' ' ARG . 24.1 mtt180 -87.97 160.61 17.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.619 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.65 -39.54 80.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.885 0.311 . . . . 0.0 111.125 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.9 p -61.67 -44.21 97.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.597 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.41 -35.98 68.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.186 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -65.89 -38.6 89.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.514 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.624 ' HA ' HG22 ' A' ' 36' ' ' ILE . 53.0 t-80 -63.64 -35.38 80.36 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.587 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -54.94 -53.09 60.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.284 0.564 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.44 ' CH2' ' HG ' ' A' ' 22' ' ' LEU . 15.4 m0 -68.31 -50.41 53.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.139 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.624 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -65.49 -34.51 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.65 -175.119 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 t -78.4 -16.88 57.15 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.008 -0.433 . . . . 0.0 110.166 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.69 -17.45 31.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.299 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.7 mt -58.19 128.24 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.775 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -81.74 -15.45 54.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.847 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -79.34 -18.71 51.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 109.182 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 36.0 t80 -87.74 129.0 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.18 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -160.65 108.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.712 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 19.1 t70 -163.11 -84.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.831 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -147.22 113.52 4.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 1.65 7.56 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.976 2.451 . . . . 0.0 113.654 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -110.06 -36.15 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.836 0.309 . . . . 0.0 111.836 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.44 34.91 0.53 Allowed 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 2.1 p -80.14 64.16 4.88 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.54 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 77.4 m-20 -48.89 150.98 1.32 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.978 177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -41.38 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.985 -176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -63.68 -33.34 75.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.025 0.441 . . . . 0.0 110.583 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.7 mm -61.55 -54.39 35.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.073 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.01 -35.71 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.43 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.5 tt0 -61.64 -42.99 99.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.19 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 110.909 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.93 -33.66 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.299 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.8 tm? -74.15 -39.6 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.758 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 93.4 mt -60.13 -45.82 91.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.684 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG21 ' HG3' ' A' ' 9' ' ' ARG . 11.7 p -65.57 -35.45 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.365 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -64.15 -44.21 92.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' HG2' ' A' ' 24' ' ' PRO . 86.8 mt -56.6 -39.54 73.74 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.104 0.478 . . . . 0.0 110.968 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.41 -43.53 55.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.745 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 20.2 mt-10 -77.0 -31.94 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.693 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.334 -178.534 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' A' ' 43' ' ' ASP . . . -120.08 -152.74 9.04 Favored Glycine 0 CA--C 1.506 -0.472 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HB3' HG12 ' A' ' 11' ' ' ILE . 70.9 mt -59.97 121.68 12.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.008 0.433 . . . . 0.0 110.242 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -100.65 146.1 27.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.522 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' A' ' 53' ' ' ILE . 14.2 m95 -56.95 -46.33 82.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.2 m -62.89 -28.71 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.246 0.546 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.34 57.85 4.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.714 0.769 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -66.45 -27.96 68.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.469 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HA ' HG21 ' A' ' 60' ' ' VAL . 31.3 ttm180 -68.41 -46.57 69.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.564 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.91 -34.71 73.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.245 0.545 . . . . 0.0 109.742 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 3' ' ' LEU . 67.7 mt -72.71 -42.73 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.62 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.674 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.16 -44.97 94.59 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -65.34 -38.39 89.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.95 91.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.996 0.426 . . . . 0.0 110.931 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD11 ' SD ' ' A' ' 32' ' ' MET . 18.9 mt -67.93 -42.51 80.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.214 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 35.1 t80 -72.03 -30.18 64.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.116 0.484 . . . . 0.0 110.624 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.01 -48.27 71.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.014 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.19 28.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.548 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.872 ' HB3' HD13 ' A' ' 22' ' ' LEU . 89.8 m-85 -128.8 66.13 74.6 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.778 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.38 -9.28 16.27 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.177 1.918 . . . . 0.0 111.128 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.57 -16.48 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.49 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.872 HD13 ' HB3' ' A' ' 19' ' ' TYR . 7.3 mp -97.51 141.72 30.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.125 -175.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 27' ' ' VAL . 12.8 t70 -93.14 118.72 67.85 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.47 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.65 ' HG2' HD23 ' A' ' 62' ' ' LEU . 36.7 Cg_endo -65.99 -7.77 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.184 2.589 . . . . 0.0 113.868 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -81.39 -38.16 27.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.362 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 23' ' ' ASP . 96.4 t -83.69 119.3 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.513 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -93.18 175.57 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.95 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 23.1 m-85 -62.58 -42.02 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.402 . . . . 0.0 110.427 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.529 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.0 m -55.77 -54.08 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.123 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.18 -44.0 97.99 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.345 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.462 ' SD ' HD11 ' A' ' 15' ' ' LEU . 13.6 tmm? -63.46 -43.23 97.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.33 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.626 ' HA ' HG22 ' A' ' 36' ' ' ILE . 30.8 t-80 -62.96 -28.94 70.43 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.994 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 30' ' ' THR . 27.7 mt-30 -65.65 -47.35 75.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.147 0.499 . . . . 0.0 109.897 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -76.59 -40.8 48.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.765 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.626 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -66.01 -33.04 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.755 0.312 . . . . 0.0 110.682 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.09 -17.51 49.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.235 0.54 . . . . 0.0 109.918 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.087 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.4 mt -57.18 129.68 42.84 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.144 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.19 -27.98 64.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.206 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.19 -18.56 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -64.33 127.8 33.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.89 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' HB3' ' HA3' ' A' ' 2' ' ' GLY . 24.5 t70 -161.67 94.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.419 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -154.87 -90.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.336 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.72 111.91 3.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.213 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.05 -18.28 61.45 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.799 2.333 . . . . 0.0 113.821 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -103.08 -35.65 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.771 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.8 50.56 0.71 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.291 0.567 . . . . 0.0 111.806 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.442 ' HB3' HD21 ' A' ' 54' ' ' LEU . 13.1 m -93.37 66.59 3.97 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 22.6 m-20 -49.16 151.89 1.27 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.722 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.69 -51.55 65.18 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.467 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 71.8 mmtt -65.12 -24.16 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.307 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 23.4 mm -62.45 -53.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 49' ' ' SER . 84.8 mt -67.65 -34.67 77.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.504 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 34.3 tt0 -63.57 -44.68 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.29 84.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.151 0.501 . . . . 0.0 110.69 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' HA ' HG12 ' A' ' 60' ' ' VAL . 66.4 mt -69.78 -36.46 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.659 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.42 -43.7 76.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' A' ' 62' ' ' LEU . 84.1 mt -64.53 -39.08 93.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.577 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.674 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -72.94 -29.28 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.514 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -64.82 -44.05 91.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.65 HD23 ' HG2' ' A' ' 24' ' ' PRO . 68.7 mt -55.86 -44.1 77.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.325 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.04 -46.14 88.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.027 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -72.96 -44.49 61.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.859 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -63.15 -44.0 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -174.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.33 -179.547 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 ttp . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -154.84 12.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.565 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 95.0 mt -62.18 127.11 29.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.785 0.326 . . . . 0.0 110.772 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.1 mmmp? -96.28 166.96 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.653 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 25.1 m95 -72.97 21.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.424 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.2 m -124.58 -13.05 7.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.232 0.539 . . . . 0.0 110.141 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 11' ' ' ILE . 11.6 m-20 -89.92 48.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -59.38 -34.24 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HA ' HG21 ' A' ' 60' ' ' VAL . 70.2 ttt-85 -63.57 -53.67 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.707 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.35 -28.99 69.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.703 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 7' ' ' ASP . 76.4 mt -71.01 -40.28 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.019 0.438 . . . . 0.0 109.884 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -61.0 -43.57 99.28 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.906 176.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 45.0 mt-10 -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.76 84.02 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD11 ' SD ' ' A' ' 32' ' ' MET . 25.9 mt -64.96 -44.79 88.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.768 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -64.29 -40.01 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.41 -40.29 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.65 60.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.82 75.61 75.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.745 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -74.14 -22.24 17.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.211 1.941 . . . . 0.0 112.172 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -84.65 -11.88 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.327 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 22' ' ' LEU . 34.1 mt -90.02 122.38 32.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 111.0 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.74 123.26 63.88 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.69 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HG2' HD23 ' A' ' 62' ' ' LEU . 22.3 Cg_endo -60.48 -13.71 26.68 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.648 2.898 . . . . 0.0 113.825 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.15 -38.14 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.702 0.287 . . . . 0.0 110.49 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -91.29 -16.2 27.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 0.0 110.465 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 85.2 t -76.61 109.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.103 0.477 . . . . 0.0 110.25 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -87.21 168.71 12.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.547 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -55.96 -45.41 78.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -60.61 -38.69 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.93 -49.37 52.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.456 ' SD ' HD11 ' A' ' 15' ' ' LEU . 11.0 tmm? -60.79 -43.34 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.14 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -55.3 -33.6 63.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.238 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.527 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.7 tp60 -71.79 -52.12 19.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.104 0.478 . . . . 0.0 110.599 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -70.12 -33.07 71.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.373 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.32 -30.71 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 176.644 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -72.58 -24.84 61.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.332 0.586 . . . . 0.0 109.853 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.39 20.43 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 67.8 mt -90.37 133.07 35.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.74 -26.68 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 109.85 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.35 -18.25 46.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.537 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.605 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 50.3 t80 -78.82 135.14 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 175.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -165.61 83.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.99 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.521 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 60.2 t0 -135.01 -90.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.59 104.72 3.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.558 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.63 -4.71 15.61 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.281 1.988 . . . . 0.0 112.277 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -90.57 -28.55 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.197 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.96 -101.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.044 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.653 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 18.0 p 46.15 61.69 2.6 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.195 0.598 . . . . 0.0 112.038 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -75.36 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.41 -46.69 66.41 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -57.3 -40.42 77.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.658 0.266 . . . . 0.0 111.26 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.92 -49.35 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.355 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.01 -37.11 85.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.2 tt0 -59.14 -48.15 82.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.659 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.79 74.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.79 -36.5 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.762 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.4 tm? -68.75 -38.29 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.0 mt -58.41 -48.96 78.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.904 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.575 HG13 ' HA3' ' A' ' 12' ' ' GLY . 14.9 p -68.01 -30.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -67.65 -37.44 82.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.3 mt -61.43 -31.08 71.01 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.911 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.64 -43.55 59.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.36 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.91 -50.53 14.76 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.52 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.99 58.48 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.228 0.537 . . . . 0.0 110.655 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.438 -178.072 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HE2' ' HE2' ' A' ' 4' ' ' LYS . 59.6 mtm . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.22 -150.9 5.44 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 78.0 mt -60.51 110.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 110.051 174.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' HE2' ' HE2' ' A' ' 1' ' ' MET . 1.9 mmmp? -91.07 153.93 19.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.843 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -64.3 -20.65 66.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.954 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -77.88 -24.47 48.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.138 0.494 . . . . 0.0 110.755 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.85 47.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.989 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 p -53.41 -38.41 63.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.179 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -66.62 -48.23 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.58 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.65 -32.68 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.931 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -74.96 -40.81 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.512 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.65 -37.79 84.87 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.192 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.46 -43.8 88.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.575 0.226 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.59 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.94 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD11 ' SD ' ' A' ' 32' ' ' MET . 45.5 mt -64.79 -43.42 93.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.699 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -70.15 -30.81 68.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.993 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.22 -36.56 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.32 -38.69 18.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.38 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.9 75.38 76.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.825 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.78 -36.98 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.664 2.243 . . . . 0.0 112.433 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -90.73 -0.42 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.259 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -89.51 130.98 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.12 112.33 7.99 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.941 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' HB2' HD23 ' A' ' 62' ' ' LEU . 58.3 Cg_endo -73.67 -19.48 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.659 2.24 . . . . 0.0 113.075 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -67.52 -42.04 83.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.094 0.473 . . . . 0.0 110.53 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -87.43 24.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.208 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.85 117.65 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 0.0 110.151 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -76.64 157.04 32.17 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -58.34 -32.24 68.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.424 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -62.02 -46.08 90.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -60.42 -51.87 67.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.225 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.425 ' SD ' HD11 ' A' ' 15' ' ' LEU . 10.1 tmm? -61.68 -44.69 96.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.848 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -54.55 -38.04 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -51.59 38.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.914 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -67.2 -39.93 86.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.925 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.686 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.05 -31.68 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.9 t -69.19 -31.87 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.82 21.02 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.469 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.686 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 50.4 mt -77.62 129.15 35.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.33 -12.32 61.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.284 0.564 . . . . 0.0 110.283 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.02 -18.47 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.364 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 47.4 t80 -79.39 136.49 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.541 ' OD2' ' HB3' ' A' ' 1' ' ' MET . 35.2 t70 -165.42 92.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.734 175.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -149.16 -97.35 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.136 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.19 111.45 4.37 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.68 -24.94 24.88 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.002 2.468 . . . . 0.0 114.36 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -99.39 -7.3 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.68 -53.46 18.51 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.796 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.429 ' HB3' HD21 ' A' ' 54' ' ' LEU . 5.3 m -21.43 81.86 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 125.596 1.81 . . . . 0.0 114.494 -168.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 42.4 m-80 -67.49 150.86 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.996 171.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 4.1 mp0 -55.38 -49.13 73.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.695 0.283 . . . . 0.0 110.666 -177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -67.27 -17.7 64.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.59 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.547 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 13.3 mm -70.73 -48.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.448 0.642 . . . . 0.0 109.302 171.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 49' ' ' SER . 57.1 mt -72.9 -20.26 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.328 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.7 tp10 -52.68 -53.59 45.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.278 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.71 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.06 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mt -72.59 -30.82 35.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.601 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -77.56 -37.17 51.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.509 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.4 mt -62.37 -46.06 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.179 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG13 ' HA3' ' A' ' 12' ' ' GLY . 8.0 p -65.99 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.271 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -62.33 -48.75 78.43 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 24' ' ' PRO . 95.4 mt -55.9 -53.52 55.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.63 -32.3 70.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.76 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -86.6 -47.01 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.98 -35.77 59.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.752 -175.291 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttm . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.943 0.402 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.439 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . -121.47 -140.43 5.89 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 174.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.02 126.28 27.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.674 0.273 . . . . 0.0 110.566 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' O ' HD11 ' A' ' 11' ' ' ILE . 61.2 mmtt -86.6 158.83 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.51 ' HB3' HG21 ' A' ' 53' ' ' ILE . 97.0 m95 -67.43 -21.33 65.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.344 0.592 . . . . 0.0 109.751 175.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -73.06 -21.06 60.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.284 175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 11' ' ' ILE . 67.8 m-20 -86.06 48.13 1.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.543 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.9 p -57.4 -30.17 64.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.928 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' NH1' ' HB ' ' A' ' 60' ' ' VAL . 8.9 tpp180 -68.99 -50.59 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -68.69 -30.3 68.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.933 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 7' ' ' ASP . 63.6 mt -68.47 -43.51 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -59.67 -40.91 97.1 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.549 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.35 -44.79 88.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 110.511 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.94 83.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.338 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.15 -38.24 78.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.42 -36.24 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.78 -43.59 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.865 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.48 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.614 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 75.6 m-85 -129.4 76.22 79.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.74 -28.1 5.5 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.466 2.111 . . . . 0.0 113.098 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.91 -1.96 57.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.921 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 1.6 tt -89.58 120.35 30.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.806 -175.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 26' ' ' THR . 12.1 t70 -61.09 120.49 54.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.228 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HG3' ' HB3' ' A' ' 65' ' ' ALA . 49.3 Cg_endo -68.49 -15.26 41.48 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.695 2.263 . . . . 0.0 113.178 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -84.12 -24.22 30.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.319 . . . . 0.0 110.93 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 23' ' ' ASP . 8.0 t -88.09 -4.0 58.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.34 0.591 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -90.49 114.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -99.12 175.38 5.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -57.6 -49.29 76.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m -68.8 -40.78 79.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.979 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.69 -47.89 84.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.242 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttp -63.15 -38.08 89.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' HG22 ' A' ' 36' ' ' ILE . 56.9 t-80 -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.927 -178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -68.22 -43.71 77.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.152 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -70.87 -44.52 66.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.13 -29.54 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.14 -176.57 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 t -67.09 -32.45 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.745 0.307 . . . . 0.0 110.868 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.81 16.47 19.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.684 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 51.9 mt -76.62 135.3 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.088 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.48 -28.02 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.59 -19.25 60.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.342 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -90.12 126.13 35.68 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.83 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.439 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 25.7 t70 -152.85 81.72 1.22 Allowed 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 15.3 t70 -160.1 -151.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.472 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 18.7 m-20 -93.2 103.49 9.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.115 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 44' ' ' ASP . 73.4 Cg_endo -79.18 -1.39 11.52 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.909 2.406 . . . . 0.0 112.348 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.15 -9.43 56.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.153 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.42 -100.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.448 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 5.3 p 42.83 62.38 1.79 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.783 0.677 . . . . 0.0 112.493 177.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.42 167.63 2.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.36 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.41 -49.55 72.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.968 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.66 ' HE2' ' HA ' ' A' ' 52' ' ' LYS . 10.7 mmpt? -57.07 -37.48 71.92 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.526 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 5' ' ' TRP . 48.4 mm -64.57 -50.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.477 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.91 -33.7 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.638 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.591 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.6 tt0 -59.08 -44.33 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.8 mt -72.28 -32.59 43.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.396 0.617 . . . . 0.0 110.441 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.0 tm? -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.787 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 88.8 mt -62.88 -46.02 89.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.692 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 4.2 p -64.26 -37.73 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.595 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -61.53 -44.49 96.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.566 HD23 ' HB2' ' A' ' 24' ' ' PRO . 93.0 mt -55.58 -55.68 29.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.091 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.65 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.785 -172.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -75.88 -31.72 59.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.643 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . -90.13 -47.71 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -174.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.202 -174.711 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.816 0.341 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.33 -144.95 6.55 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 93.9 mt -60.73 135.73 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.699 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 29.2 mmtp -99.32 161.87 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.508 ' HB3' HG23 ' A' ' 53' ' ' ILE . 60.0 m95 -62.26 -19.41 63.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -84.03 -10.64 57.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.928 0.394 . . . . 0.0 111.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.0 51.1 1.98 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.208 0.528 . . . . 0.0 109.734 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.474 ' O ' HG11 ' A' ' 60' ' ' VAL . 26.4 p -57.28 -37.34 72.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.581 -173.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.7 ttp180 -62.93 -50.39 71.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.16 -177.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -64.94 -34.38 78.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.59 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 57' ' ' ILE . 81.2 mt -69.63 -41.14 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -62.44 -43.39 99.11 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.075 -0.584 . . . . 0.0 111.852 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.81 -38.5 88.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.96 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.43 -40.94 89.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.042 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.88 -32.9 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.02 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.12 -45.78 55.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 -31.57 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.803 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -128.99 69.08 80.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.72 0.295 . . . . 0.0 111.012 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.69 -11.33 16.95 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.499 2.132 . . . . 0.0 112.394 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.34 -15.03 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.4 mt -91.53 107.3 19.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.96 127.41 93.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.297 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HG2' HD23 ' A' ' 62' ' ' LEU . 26.1 Cg_endo -62.63 -9.1 14.82 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.164 2.576 . . . . 0.0 113.976 -173.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -78.92 -24.87 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -88.46 -25.32 22.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.4 t -86.14 117.98 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -92.82 169.04 10.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -55.66 -41.28 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.183 0.302 . . . . 0.0 110.527 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -53.42 -50.3 65.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.76 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.1 -40.84 59.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -58.64 -37.7 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.311 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -62.01 -35.18 77.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.93 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.51 -58.91 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 0.0 110.276 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -64.94 -39.91 94.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.204 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.535 ' O ' HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -69.12 -30.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -177.671 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -77.58 -26.3 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.43 3.08 45.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.579 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 70.6 mt -70.09 121.41 17.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.67 -23.6 61.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.53 -19.34 45.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.061 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.594 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 78.0 t80 -91.55 131.0 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.423 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -163.43 92.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.12 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.699 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 51.3 t0 -131.15 -82.16 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.247 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -147.54 113.31 4.04 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.985 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 -20.2 29.68 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.453 2.102 . . . . 0.0 113.51 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -90.19 -37.1 14.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.998 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.91 116.9 22.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.188 0.518 . . . . 0.0 110.796 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 56.96 0.87 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 94.2 m-20 -51.59 153.24 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.887 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -49.8 -48.42 50.7 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -54.53 -42.26 70.67 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.845 0.355 . . . . 0.0 111.536 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 5' ' ' TRP . 39.1 mm -56.01 -53.62 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.927 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.58 -30.58 63.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.802 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.7 tt0 -61.11 -46.96 88.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.729 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.97 74.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 11' ' ' ILE . 59.2 mt -72.51 -37.5 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.7 mt -62.15 -43.89 97.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.501 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 9' ' ' ARG . 12.8 p -73.0 -27.97 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.686 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -66.1 -44.59 83.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 ' HG2' ' A' ' 24' ' ' PRO . 84.3 mt -59.95 -33.89 72.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.424 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.04 -46.22 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.574 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.15 -45.38 49.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.491 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.52 54.12 2.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.32 0.581 . . . . 0.0 110.731 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.665 178.013 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 95.8 mmm . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . -144.29 -146.15 4.46 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 91.1 mt -61.97 126.02 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.627 ' HD2' ' OD2' ' A' ' 44' ' ' ASP . 16.9 mmtp -93.37 163.32 13.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.321 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.669 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 48.5 m95 -71.01 -28.5 64.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 p -77.52 -18.33 57.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 4' ' ' LYS . 4.7 m-20 -90.54 44.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.835 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.8 p -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.706 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.8 -47.72 82.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 110.063 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.07 -35.26 80.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.096 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 36' ' ' ILE . 61.1 mt -71.68 -38.29 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.82 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.664 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -56.5 -47.24 85.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.252 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.593 0.235 . . . . 0.0 110.86 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.47 74.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.081 0.467 . . . . 0.0 110.356 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.86 -38.46 86.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.689 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.59 -37.78 88.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.869 0.366 . . . . 0.0 111.044 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.1 -36.19 72.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.853 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -45.72 43.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.058 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -125.24 72.57 65.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 -32.71 3.83 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.277 1.984 . . . . 0.0 112.689 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -90.63 0.78 57.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 23' ' ' ASP . 4.1 tt -89.25 131.48 35.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' HD23 ' A' ' 22' ' ' LEU . 12.3 t70 -66.77 111.3 6.59 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.53 -6.64 17.2 Favored 'Trans proline' 0 CA--C 1.528 0.203 0 C-N-CA 122.447 2.098 . . . . 0.0 112.78 -175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -84.27 -27.46 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.787 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 t -90.05 -2.33 58.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.001 177.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -83.98 114.56 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -88.54 172.13 9.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.59 -42.56 99.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.821 0.343 . . . . 0.0 110.484 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.1 m -59.03 -48.49 81.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.16 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.62 -46.95 80.43 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.195 0.521 . . . . 0.0 110.121 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 ttp -59.44 -38.51 80.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.337 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.701 ' HA ' HG22 ' A' ' 36' ' ' ILE . 14.1 t-80 -63.34 -29.19 70.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -69.11 -38.73 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.57 -43.1 16.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.701 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -66.14 -33.0 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -176.135 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 12.5 t -76.81 -15.65 59.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 0.0 110.624 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -106.81 9.39 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.569 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 81.3 mt -66.74 144.17 56.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.811 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -75.61 -22.09 57.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.425 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -95.78 -15.64 22.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.178 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.7 t80 -78.53 136.43 37.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.23 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.445 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 33.9 t70 -167.74 102.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.42 174.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.627 ' OD2' ' HD2' ' A' ' 4' ' ' LYS . 16.1 t70 -151.13 -87.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.855 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -146.87 115.78 4.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 5.4 Cg_exo -72.98 -27.4 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.528 2.152 . . . . 0.0 111.865 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.76 35.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.829 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.56 -103.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.993 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.669 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 12.3 p 44.48 64.6 1.28 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -55.58 150.8 11.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 170.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.525 -172.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -66.1 -34.61 78.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.617 HG21 ' HB3' ' A' ' 5' ' ' TRP . 38.4 mm -69.15 -47.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.582 0.706 . . . . 0.0 109.456 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 49' ' ' SER . 65.9 mt -61.66 -31.89 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.497 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.5 tt0 -58.4 -48.27 81.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.813 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.92 78.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.74 -39.96 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.295 0.569 . . . . 0.0 110.311 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.1 tm? -67.97 -38.07 82.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.785 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -62.9 -47.65 82.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.664 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -66.49 -31.54 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.751 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -65.0 -48.33 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HG ' HD13 ' A' ' 58' ' ' LEU . 82.6 mt -57.44 -48.36 79.37 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.183 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.99 -39.42 74.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.811 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.3 -41.66 60.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.757 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.45 -49.42 6.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.391 -174.355 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.896 0.379 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.16 -129.18 1.04 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.456 ' HB3' HG12 ' A' ' 11' ' ' ILE . 91.1 mt -67.36 113.85 5.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 172.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -92.32 161.52 14.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.535 ' HB3' HD12 ' A' ' 53' ' ' ILE . 3.3 m95 -66.06 -12.17 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -85.98 -16.84 37.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 51.7 m-20 -89.8 47.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.821 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 p -51.75 -39.33 58.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.407 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.615 ' HA ' HG21 ' A' ' 60' ' ' VAL . 16.0 ttt180 -72.09 -48.43 44.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.654 0.264 . . . . 0.0 110.461 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 35.1 mt-10 -63.55 -25.51 68.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 3' ' ' LEU . 67.0 mt -78.08 -42.93 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.098 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.13 97.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.856 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.48 -42.18 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.653 0.264 . . . . 0.0 110.802 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.36 84.83 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.14 0.495 . . . . 0.0 110.751 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 58.3 mt -64.2 -47.94 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.797 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -62.75 -44.19 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.172 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.15 -41.16 82.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.394 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.25 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.707 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -124.66 72.39 60.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.331 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.15 -12.43 15.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.092 1.861 . . . . 0.0 111.221 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.18 -6.63 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.48 130.15 56.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.434 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -84.63 123.52 74.27 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HB3' ' CD2' ' A' ' 61' ' ' TRP . 32.8 Cg_endo -64.62 -10.85 26.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.042 2.495 . . . . 0.0 111.927 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -60.43 -45.7 92.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.442 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -90.25 -5.61 56.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.143 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.2 t -81.77 118.68 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -85.53 166.58 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.91 177.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -60.95 -38.58 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.99 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -57.38 -43.02 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.64 -44.95 55.54 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.29 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.235 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' HA ' HG22 ' A' ' 36' ' ' ILE . 17.8 t-80 -61.94 -31.92 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.14 -45.45 81.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.203 0.525 . . . . 0.0 109.693 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -74.43 -42.5 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.052 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -63.18 -33.95 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.712 -178.261 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 m -75.1 -21.1 59.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.039 0.447 . . . . 0.0 110.98 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -87.99 -10.82 49.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.359 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 68.7 mt -67.29 127.48 32.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.155 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.55 -18.98 58.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.57 -20.23 60.02 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.443 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -85.31 133.79 34.13 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.929 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.36 74.08 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.744 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -139.29 -90.48 0.19 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -145.86 109.87 4.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 122.319 -0.238 . . . . 0.0 110.695 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.99 -5.21 15.69 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.245 1.963 . . . . 0.0 113.391 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -100.67 -38.32 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.282 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.04 58.67 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.311 0.577 . . . . 0.0 111.252 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' HD21 ' A' ' 54' ' ' LEU . 13.9 m -101.96 55.36 0.8 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -60.75 157.3 15.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.613 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.27 -43.86 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -169.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 52' ' ' LYS . 1.9 tmmm? -52.14 -43.37 64.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.019 0.438 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 5' ' ' TRP . 47.1 mm -62.56 -59.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.139 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 49' ' ' SER . 85.0 mt -66.31 -29.25 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.433 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -61.97 -52.75 62.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.491 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 60' ' ' VAL . . . -57.97 -36.91 73.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.945 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -65.1 -39.29 92.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.292 -178.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.6 mt -58.91 -41.17 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG21 ' HA ' ' A' ' 9' ' ' ARG . 80.6 t -61.37 -46.78 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.459 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.452 ' CD2' ' HB3' ' A' ' 24' ' ' PRO . 5.4 t90 -60.83 -42.69 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.29 -30.06 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.228 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -82.4 -36.44 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.549 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 39.2 mt-10 -85.86 -21.18 28.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.15 15.77 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.588 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.356 177.82 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.37 6.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.876 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 95.8 mt -74.04 129.1 37.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.905 0.383 . . . . 0.0 110.802 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 44' ' ' ASP . 67.3 mmtt -105.2 174.15 6.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 171.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -71.64 -19.3 62.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.487 0.66 . . . . 0.0 109.516 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 m -67.37 -24.85 65.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.213 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 29.9 m-20 -90.44 41.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -59.55 -30.84 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.754 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -70.2 -49.83 46.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.547 . . . . 0.0 109.762 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 19.6 mp0 -59.97 -38.96 84.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.444 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.7 mt -66.78 -39.42 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.589 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.67 -42.37 97.84 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.857 176.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.47 -41.91 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.16 76.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.141 0.496 . . . . 0.0 111.043 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 54.7 mt -65.06 -44.09 90.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.403 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 58.8 t80 -71.73 -27.83 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.02 -37.26 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.24 -36.7 46.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.343 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -129.53 70.84 82.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.304 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.2 -29.55 4.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.124 1.883 . . . . 0.0 111.898 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.71 46.22 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.818 0.818 . . . . 0.0 109.915 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.93 132.78 15.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.612 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.33 118.55 72.22 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.3 . . . . 0.0 110.497 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.556 ' HG2' HD23 ' A' ' 62' ' ' LEU . 40.2 Cg_endo -69.2 -4.98 14.75 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.535 2.157 . . . . 0.0 112.317 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.82 -31.62 25.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.779 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -82.26 -24.69 34.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.131 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.0 123.7 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.74 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -95.59 177.13 5.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.911 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -68.34 -35.23 77.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -68.38 -47.55 67.06 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.996 0.427 . . . . 0.0 110.025 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.433 ' SD ' HD11 ' A' ' 15' ' ' LEU . 13.8 tmm? -62.97 -44.17 96.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.677 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.595 ' HA ' HG22 ' A' ' 36' ' ' ILE . 61.1 t-80 -61.48 -32.81 72.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.9 tp60 -58.46 -49.16 78.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 0.0 110.171 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -73.83 -43.09 59.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.824 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.688 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.45 -23.79 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 -177.708 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 t -72.32 -28.62 63.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.88 18.07 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.549 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.688 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 33.8 mt -63.34 116.68 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.68 -34.15 70.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.581 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' OD2' ' HG ' ' A' ' 3' ' ' LEU . 36.4 t70 -82.13 -17.42 46.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.433 . . . . 0.0 110.96 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 86.8 t80 -77.65 130.95 37.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -152.62 90.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.884 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' ' 4' ' ' LYS . 32.8 t70 -152.55 -94.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.537 173.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.32 106.55 4.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.633 0.254 . . . . 0.0 110.462 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.32 -27.33 84.66 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.924 2.416 . . . . 0.0 114.067 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -97.01 -0.41 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -172.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.05 28.15 1.24 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -77.02 67.58 3.03 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.608 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.521 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 64.9 m-20 -54.07 157.15 2.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.613 173.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -52.73 -56.82 12.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.613 0.244 . . . . 0.0 111.584 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 55' ' ' GLU . 67.1 mmtt -68.15 -21.04 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.256 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.55 -54.85 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.49 -34.47 74.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.632 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.4 tt0 -58.73 -50.43 73.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.47 73.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 111.145 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.64 -35.58 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -73.82 -39.24 64.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.792 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.682 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -67.15 -32.22 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -63.91 -47.31 81.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 24' ' ' PRO . 96.1 mt -58.24 -43.06 87.6 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.933 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.04 -34.02 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.674 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -86.32 -22.12 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -88.81 -58.0 2.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.915 -171.786 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.806 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 27.0 ptt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.61 27.67 3.49 Favored Glycine 0 N--CA 1.437 -1.27 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.24 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.37 119.98 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.956 0.407 . . . . 0.0 111.271 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -92.15 151.32 20.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.448 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.632 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 84.9 m95 -66.4 -16.43 64.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.611 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -77.5 -6.95 55.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 43.1 m-20 -106.77 48.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.924 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -63.26 -27.53 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.784 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 37.3 ttp180 -73.72 -45.85 49.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 18.5 mp0 -56.61 -44.97 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.468 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.71 -35.97 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.44 -40.17 95.8 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.941 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 43.2 mt-10 -60.47 -46.48 89.93 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.5 -46.2 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.319 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -68.15 -47.32 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.72 -31.71 69.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.0 111.195 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -78.29 -38.18 43.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.695 0.283 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.35 55.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.834 0.35 . . . . 0.0 111.113 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 96.7 m-85 -127.64 68.64 74.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.221 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -18.56 14.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.008 1.805 . . . . 0.0 111.648 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -90.88 6.64 43.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.351 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 4.4 mm? -108.6 134.42 51.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.122 0.487 . . . . 0.0 110.893 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 26' ' ' THR . 13.7 t70 -85.37 122.39 73.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.164 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HG2' HD23 ' A' ' 62' ' ' LEU . 33.0 Cg_endo -65.02 -15.72 51.89 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.806 2.337 . . . . 0.0 113.12 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -84.09 -31.27 25.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.705 0.288 . . . . 0.0 110.96 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -87.11 -17.81 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.756 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 23' ' ' ASP . 91.6 t -82.2 105.58 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -86.7 177.4 7.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.232 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.587 0.232 . . . . 0.0 110.864 -176.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -36.28 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.503 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.74 -49.03 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.995 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.5 -35.55 63.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.734 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.5 -51.88 15.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.008 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -61.91 -47.21 85.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.966 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' O ' HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -65.97 -35.39 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.829 -176.425 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 84.5 m -79.08 -11.89 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.062 0.458 . . . . 0.0 110.922 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -96.36 -4.64 41.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.369 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 80.7 mt -60.46 141.16 56.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.364 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.15 -36.97 80.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.356 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.806 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 12.4 p-10 -96.57 -2.65 44.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 37' ' ' CYS . 58.1 t80 -77.65 117.26 18.89 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.507 169.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -161.53 83.89 0.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -144.7 -80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.016 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.32 103.42 4.34 Favored Pre-proline 0 C--N 1.33 -0.25 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.088 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.54 2.25 8.52 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.946 2.431 . . . . 0.0 113.037 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -104.42 -35.34 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.41 13.79 9.28 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.632 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 3.8 p -76.6 53.62 0.89 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.701 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -61.49 166.18 4.26 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.924 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.34 -45.81 80.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -69.25 -29.73 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.407 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 0.0 109.813 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.41 -35.61 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.378 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.5 tt0 -61.5 -44.14 97.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.61 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.8 mt -79.91 -29.83 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.497 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -37.19 63.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.807 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.7 mt -61.62 -41.84 98.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.796 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.42 -33.42 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 4.3 t90 -64.07 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.2 mt -59.6 -46.17 89.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.433 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.82 -37.99 73.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.627 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.58 -20.8 58.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.0 -62.33 1.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.502 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.388 -178.409 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.55 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 1.9 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.607 ' H ' ' HB3' ' A' ' 43' ' ' ASP . . . -130.66 -130.59 3.21 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 119.923 -1.132 . . . . 0.0 111.741 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 96.1 mt -66.56 102.36 0.89 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.956 0.408 . . . . 0.0 110.796 177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 73.8 mmtt -91.86 154.09 19.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.515 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 34.0 m95 -61.31 -25.33 67.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.528 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -6.87 59.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.08 0.467 . . . . 0.0 111.247 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.8 m-20 -107.91 45.08 1.03 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.221 175.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -57.65 -30.46 65.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.563 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.4 ttp180 -66.16 -46.64 76.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.6 -36.59 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.042 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.467 HG12 ' HB3' ' A' ' 3' ' ' LEU . 61.2 mt -69.0 -39.78 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.757 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.11 -47.54 88.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.086 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.98 -35.92 81.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.446 0.165 . . . . 0.0 110.673 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.34 90.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.19 0.519 . . . . 0.0 110.847 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 39' ' ' LEU . 37.5 mt -68.35 -39.72 81.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.961 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -70.62 -33.45 71.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.83 -41.24 75.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 -35.33 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.65 78.44 74.88 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.482 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.25 -35.63 2.22 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.839 2.359 . . . . 0.0 112.486 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.86 -3.02 59.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -89.82 120.66 31.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.186 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 25' ' ' LYS . 18.8 t70 -75.49 119.29 76.35 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.86 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HG2' HD23 ' A' ' 62' ' ' LEU . 39.4 Cg_endo -66.65 -10.96 29.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.06 2.507 . . . . 0.0 113.387 -175.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 49.1 mttm -83.87 -24.7 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -88.62 -7.62 56.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 110.259 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.29 105.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.892 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -87.39 169.31 12.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HE1' ' HA ' ' A' ' 55' ' ' GLU . 77.6 m-85 -57.38 -38.36 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 0.0 111.208 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -64.66 -42.69 95.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.284 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -65.51 -50.26 65.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.16 0.505 . . . . 0.0 109.89 176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -59.55 -39.11 82.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.619 ' HA ' HG22 ' A' ' 36' ' ' ILE . 34.5 t-80 -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.7 -39.12 90.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.688 -177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -86.5 -37.44 18.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.83 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.624 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.16 -35.87 65.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.679 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.13 -12.73 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.276 0.56 . . . . 0.0 110.241 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -115.55 24.79 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.978 0.894 . . . . 0.0 109.576 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 63.6 mt -75.87 137.63 40.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.965 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.96 -34.32 77.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.246 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -92.5 -10.97 35.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.21 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.707 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 76.2 t80 -61.88 127.39 31.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' HB3' ' H ' ' A' ' 2' ' ' GLY . 25.9 t70 -148.34 79.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.587 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 45.9 t0 -170.05 172.49 6.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.12 107.29 4.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 122.796 0.438 . . . . 0.0 111.779 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 44' ' ' ASP . 29.4 Cg_endo -69.71 -9.18 25.5 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.125 2.55 . . . . 0.0 113.348 -175.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.1 -36.97 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.31 24.82 0.42 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.388 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.462 ' HB2' HD21 ' A' ' 54' ' ' LEU . 55.4 p -76.52 65.78 2.41 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.536 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.1 m-80 -54.28 155.55 3.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.479 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.51 -50.0 73.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -172.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.86 -19.49 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.357 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 30.5 mm -67.85 -54.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 49' ' ' SER . 59.5 mt -65.45 -33.33 75.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.315 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -57.59 -48.92 78.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.681 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.61 79.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.5 -43.0 87.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.06 -41.08 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -61.03 -46.44 90.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.514 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.757 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.4 p -69.57 -29.79 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.924 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -63.41 -46.84 84.54 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 24' ' ' PRO . 89.6 mt -56.4 -43.36 79.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.594 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.51 -38.91 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.894 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.63 -31.92 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.428 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.89 -36.3 42.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.699 -175.779 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 ttm . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.871 0.367 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.57 -134.6 2.17 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.58 HD13 HG12 ' A' ' 11' ' ' ILE . 94.7 mt -59.79 133.08 55.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.958 0.409 . . . . 0.0 111.464 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -91.18 152.46 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.646 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 33.7 m95 -71.19 -12.2 61.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.888 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -101.44 6.97 42.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.511 0.672 . . . . 0.0 110.334 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.44 64.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.372 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.409 ' O ' HG11 ' A' ' 60' ' ' VAL . 21.4 p -62.48 -38.32 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.907 -170.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.681 ' HA ' HG21 ' A' ' 60' ' ' VAL . 48.0 ttt85 -66.13 -47.73 73.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.294 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.58 HG12 HD13 ' A' ' 3' ' ' LEU . 60.1 mt -82.05 -40.1 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.964 0.412 . . . . 0.0 110.479 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.96 -44.86 95.9 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.88 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.17 -36.44 84.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.424 0.154 . . . . 0.0 110.911 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.49 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.385 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD11 ' SD ' ' A' ' 32' ' ' MET . 35.2 mt -65.58 -43.48 89.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.921 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -63.79 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.64 -41.86 65.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.166 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -125.6 77.39 69.39 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.0 -32.85 3.02 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.878 2.385 . . . . 0.0 112.429 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -89.95 -1.03 57.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.235 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 tt -102.22 118.1 36.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 13.3 m-20 -79.37 124.93 83.95 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HB3' ' CD2' ' A' ' 61' ' ' TRP . 19.3 Cg_endo -59.54 -17.21 40.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.15 2.566 . . . . 0.0 111.916 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.28 -34.22 76.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.333 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -91.3 7.77 39.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.613 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t -103.09 123.19 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.059 0.457 . . . . 0.0 110.69 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -93.53 172.54 8.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.845 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.91 -38.51 91.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.844 0.354 . . . . 0.0 110.819 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 20.8 p -63.09 -36.67 84.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.208 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.65 -53.62 13.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.052 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.417 ' SD ' HD11 ' A' ' 15' ' ' LEU . 8.5 tmm? -59.52 -39.23 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.184 -177.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -54.59 -37.38 65.48 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 mm100 -78.08 -41.73 34.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.038 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 36.7 m0 -69.75 -39.15 76.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.292 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -73.42 -33.25 39.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 -179.697 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -70.16 -22.45 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 111.058 -177.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.82 30.23 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.361 0.601 . . . . 0.0 110.59 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.656 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 58.7 mt -80.89 136.71 36.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.8 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.03 -32.22 73.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.08 -18.23 37.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.018 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.656 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 72.5 t80 -88.31 136.12 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -170.3 74.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.58 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -129.03 -81.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.128 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -145.1 98.46 4.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.96 -11.27 19.8 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.751 2.301 . . . . 0.0 113.512 -175.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -102.65 -23.44 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.55 -93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.447 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 11.4 p 43.83 63.31 1.63 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 37.8 m-80 -59.0 161.16 5.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.66 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.37 -50.3 62.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -55.36 -31.03 61.43 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 41.1 mm -68.54 -55.4 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.05 -36.38 81.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.593 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.7 tt0 -63.32 -46.19 87.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.31 81.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.872 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.24 -33.0 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.527 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.3 tm? -71.01 -40.31 71.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 94.2 mt -62.58 -41.73 99.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 9' ' ' ARG . 13.9 p -71.32 -31.77 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.425 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.444 ' CD2' ' HB3' ' A' ' 24' ' ' PRO . 5.7 t90 -64.71 -42.85 94.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.3 mt -60.79 -41.35 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.642 176.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.57 -37.44 82.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.017 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.08 -16.29 56.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.528 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.6 -50.05 6.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.401 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.034 0.445 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.23 -126.64 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.454 HD13 HG12 ' A' ' 11' ' ' ILE . 92.8 mt -76.01 134.66 40.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HG2' ' OD2' ' A' ' 7' ' ' ASP . 4.7 mmtm -95.98 173.31 7.5 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.508 ' HB3' HD12 ' A' ' 53' ' ' ILE . 52.8 m95 -74.76 -19.07 60.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.525 . . . . 0.0 110.387 174.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -80.31 -12.13 59.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.139 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.604 ' OD2' ' HG2' ' A' ' 4' ' ' LYS . 93.8 m-20 -86.22 52.4 2.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.288 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 60' ' ' VAL . 6.9 p -62.79 -29.4 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.597 -176.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -73.88 -55.02 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 109.841 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 32.6 mp0 -58.51 -39.88 81.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.802 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 HD13 ' A' ' 3' ' ' LEU . 50.2 mt -70.96 -42.95 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.508 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.86 -45.9 93.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.225 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HG2' ' OE2' ' A' ' 64' ' ' GLU . 42.8 mt-10 -65.67 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . -67.67 -39.45 84.49 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.178 0.513 . . . . 0.0 111.371 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.17 -39.9 75.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.776 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -72.39 -24.3 61.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.294 0.568 . . . . 0.0 109.8 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 8.8 t70 -66.02 -54.45 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.578 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.64 72.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.365 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -128.54 73.04 80.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.656 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 -38.42 3.57 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.347 2.031 . . . . 0.0 112.423 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.09 31.17 1.12 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tt -122.99 121.72 36.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 9.6 m-20 -78.71 118.56 73.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.501 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.68 ' HG2' HD23 ' A' ' 62' ' ' LEU . 24.0 Cg_endo -62.99 -10.85 21.97 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.987 2.458 . . . . 0.0 111.942 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -54.8 -46.07 74.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.588 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 p -92.19 9.46 33.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.051 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.09 114.03 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.329 . . . . 0.0 110.796 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -94.3 179.74 5.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.404 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.33 -43.72 98.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -172.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.6 m -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.126 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.8 -48.21 81.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.218 0.532 . . . . 0.0 110.335 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.497 ' HE1' ' HB ' ' A' ' 57' ' ' ILE . 14.1 ttp -61.31 -36.89 81.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.007 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.722 ' HA ' HG22 ' A' ' 36' ' ' ILE . 33.7 t-80 -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 30' ' ' THR . 31.6 mm-40 -60.65 -44.44 96.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.223 0.535 . . . . 0.0 110.181 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -84.43 -38.96 19.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.269 -174.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.722 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -71.22 -31.13 43.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.277 -176.369 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.8 t -72.97 -20.11 61.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 0.0 110.356 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.69 37.82 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.678 0.751 . . . . 0.0 110.166 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 60.4 mt -90.45 157.76 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.453 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.44 -29.55 24.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.733 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.06 -17.59 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.167 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.659 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 81.6 t80 -92.19 131.4 37.46 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.773 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -170.85 97.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.104 172.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.73 -76.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.864 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -145.7 104.53 4.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.154 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.57 -5.71 17.53 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.361 2.041 . . . . 0.0 113.766 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -104.61 -22.2 13.29 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m 54.74 63.74 2.04 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.799 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.587 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 75.1 m-20 -59.3 154.38 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.665 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.92 -47.94 81.38 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.57 -176.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -67.97 -24.73 65.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 0.0 111.013 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.587 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 17.9 mm -60.82 -57.06 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.684 172.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.38 -33.01 74.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.1 tt0 -57.47 -50.61 72.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.003 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' HE1' ' A' ' 32' ' ' MET . 66.5 mt -71.85 -38.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.292 0.568 . . . . 0.0 110.568 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.4 tm? -67.94 -39.6 83.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.845 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 72.1 mt -64.99 -40.88 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.744 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.508 HG13 ' HA3' ' A' ' 12' ' ' GLY . 8.7 p -71.52 -32.74 47.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -64.85 -42.64 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD23 ' HG2' ' A' ' 24' ' ' PRO . 64.0 mt -54.44 -50.9 66.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.21 173.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.55 -31.43 56.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.541 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' HG2' ' A' ' 13' ' ' GLU . 51.0 mt-10 -86.0 -26.46 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.352 . . . . 0.0 111.523 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.93 -27.81 18.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 62' ' ' LEU . 12.6 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.188 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 71.2 mtm . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 121.327 0.584 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.59 -118.38 3.16 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.58 139.27 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -105.61 154.11 20.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.213 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.54 ' HB3' HD12 ' A' ' 53' ' ' ILE . 21.3 m95 -56.79 -31.45 64.68 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.365 . . . . 0.0 111.374 178.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -65.38 -27.64 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.21 60.56 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.462 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' HG11 ' A' ' 60' ' ' VAL . 6.5 p -59.96 -36.01 76.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.039 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.721 ' HA ' HG21 ' A' ' 60' ' ' VAL . 40.6 ttt85 -67.91 -49.37 62.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.351 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.13 -31.71 72.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 82.8 mt -73.78 -42.69 54.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.293 176.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.3 -42.19 97.22 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.95 -39.29 93.26 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.08 86.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 110.73 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 40.3 mt -65.15 -37.86 88.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.928 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -75.84 -39.11 57.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.354 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.77 -44.81 80.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.06 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.88 -26.1 31.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -178.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 64.7 m-85 -131.61 66.24 77.75 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 120.456 0.17 . . . . 0.0 111.223 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.79 -22.34 17.81 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.787 1.658 . . . . 0.0 111.355 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.92 19.32 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.712 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 1.4 tt -122.73 112.85 18.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.13 123.47 82.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.738 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.587 ' HB2' HD23 ' A' ' 62' ' ' LEU . 74.2 Cg_endo -76.3 -10.06 19.07 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 113.417 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -82.7 -28.59 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -90.21 14.35 12.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -106.3 120.16 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.66 173.55 7.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.37 -41.34 89.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.748 0.309 . . . . 0.0 110.617 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.8 -39.27 93.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.221 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.61 -49.89 60.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.377 0.608 . . . . 0.0 109.814 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ttp -63.6 -34.5 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.216 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 37.8 t-80 -61.0 -26.22 67.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.217 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.23 -60.54 2.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.126 0.489 . . . . 0.0 110.133 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -63.08 -36.64 84.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.338 -175.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.89 -30.58 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.488 -177.228 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 39.8 t -68.22 -40.08 82.18 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.524 0.202 . . . . 0.0 110.843 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -109.9 29.71 7.37 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.499 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.683 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 32.3 mt -56.49 139.95 47.66 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.19 -26.13 64.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.514 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -111.17 -4.9 14.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.683 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 86.5 t80 -90.5 137.22 32.53 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.794 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.52 ' O ' ' HA ' ' A' ' 1' ' ' MET . 32.4 t70 -170.07 86.5 0.13 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.039 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -136.53 -88.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.475 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -145.35 112.85 4.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.26 -1.38 11.5 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.232 1.954 . . . . 0.0 114.023 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -113.09 -37.0 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.386 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.21 34.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.498 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 7.1 p -82.33 52.6 2.07 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -58.75 166.56 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.054 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.65 -41.51 81.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -68.26 -27.66 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' A' ' 5' ' ' TRP . 24.0 mm -68.75 -55.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.418 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.67 -33.84 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.311 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.3 tt0 -61.61 -44.82 96.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.794 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.74 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 111.015 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.91 -38.46 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.5 tm? -64.88 -42.99 94.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -60.71 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.472 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' A' ' 9' ' ' ARG . 12.6 p -65.87 -33.38 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.755 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -63.47 -42.6 98.6 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.587 HD23 ' HB2' ' A' ' 24' ' ' PRO . 95.7 mt -57.02 -54.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.252 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.09 -34.16 77.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.941 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -77.39 -33.97 55.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . -88.76 -38.54 14.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.549 -176.068 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.27 -111.39 2.3 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.26 132.51 39.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.514 ' HB2' ' OD2' ' A' ' 7' ' ' ASP . 31.9 mmtm -90.03 157.31 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.282 172.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -70.16 -16.48 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.501 . . . . 0.0 110.493 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -76.72 -19.68 57.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.393 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.514 ' OD2' ' HB2' ' A' ' 4' ' ' LYS . 58.1 m-20 -86.08 63.56 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.272 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -53.7 -44.82 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 32.5 ttt180 -70.45 -47.91 58.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.511 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.77 -23.67 67.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.963 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.565 HG21 HD13 ' A' ' 57' ' ' ILE . 77.4 mt -77.09 -43.5 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.61 96.75 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.895 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 69.8 mt-10 -58.47 -41.49 85.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.61 99.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.5 -38.66 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -69.73 -36.87 76.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.752 0.31 . . . . 0.0 110.51 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.11 -38.79 92.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.139 0.495 . . . . 0.0 110.68 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.97 -40.99 26.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.419 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 56.6 m-85 -127.78 75.91 77.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.295 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.75 -28.07 3.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.271 1.981 . . . . 0.0 112.387 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -90.72 -6.05 54.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -92.59 114.27 26.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.767 -177.649 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' THR . 25.5 m-20 -64.73 119.65 59.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.559 ' HG2' HD23 ' A' ' 62' ' ' LEU . 19.3 Cg_endo -60.3 -15.07 32.87 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.018 2.479 . . . . 0.0 112.598 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.2 -38.76 88.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' ASP . 14.9 t -91.14 5.66 48.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.058 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.41 110.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -84.18 165.72 18.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.235 -0.438 . . . . 0.0 109.949 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -59.9 -34.85 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 110.42 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 1.7 p -62.64 -53.0 61.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.102 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.84 -49.19 78.68 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 109.968 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -59.58 -41.18 89.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.652 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.637 ' HA ' HG22 ' A' ' 36' ' ' ILE . 41.5 t-80 -65.48 -35.09 79.87 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.751 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 30' ' ' THR . 88.2 mm-40 -60.96 -49.37 77.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.901 0.382 . . . . 0.0 110.543 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -73.77 -41.4 62.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.961 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.704 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.3 -32.08 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.745 -176.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 54.0 t -74.57 -18.23 60.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.399 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -111.09 25.48 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.491 0.662 . . . . 0.0 110.069 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.704 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 38.8 mt -80.38 144.57 32.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.541 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.22 -33.22 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.533 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.95 -18.91 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.317 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 70.7 t80 -79.23 128.94 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.919 0.39 . . . . 0.0 110.67 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -169.98 94.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -158.97 -76.29 0.07 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.2 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 9.0 t70 -145.9 113.44 4.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.041 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 3.0 Cg_endo -78.29 -24.33 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.79 2.327 . . . . 0.0 112.765 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -84.97 -36.83 21.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.68 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.6 87.0 6.29 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.249 0.547 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -127.98 61.22 1.44 Allowed 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.535 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.7 t30 -48.2 141.18 6.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.559 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -48.48 -51.38 27.45 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 52' ' ' LYS . 18.1 ptpt -61.24 -21.48 63.93 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 19.8 mm -66.97 -56.19 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.472 0.653 . . . . 0.0 109.572 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.07 -30.81 70.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.742 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 35.7 tt0 -58.48 -47.84 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.782 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.41 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.565 HD13 HG21 ' A' ' 11' ' ' ILE . 64.7 mt -69.9 -37.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.64 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.0 tm? -68.33 -38.46 81.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.5 mt -62.47 -46.8 86.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.571 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 9' ' ' ARG . 13.7 p -64.25 -36.23 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -62.29 -42.62 99.51 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 24' ' ' PRO . 98.3 mt -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.52 -37.86 74.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.434 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -77.87 -42.31 33.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.211 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.12 68.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.467 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.862 177.381 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.9 mtp . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.05 0.452 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.13 -134.18 3.2 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 88.3 mt -68.43 115.28 7.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.825 0.821 . . . . 0.0 109.326 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -96.54 164.93 12.4 Favored 'General case' 0 N--CA 1.417 -2.124 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.47 -173.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.476 ' CE3' HG21 ' A' ' 53' ' ' ILE . 25.6 m95 -75.38 53.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.909 0.861 . . . . 0.0 109.823 173.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -146.67 -35.76 0.25 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.641 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 4.4 m-20 -78.81 51.91 1.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.531 ' O ' HG11 ' A' ' 60' ' ' VAL . 13.7 p -59.25 -36.29 75.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.626 HH11 HG23 ' A' ' 60' ' ' VAL . 24.7 tpp180 -76.11 -38.47 56.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.195 0.522 . . . . 0.0 109.706 -177.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 10.8 mm-40 -67.75 -44.29 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.259 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.481 HG12 HD13 ' A' ' 3' ' ' LEU . 77.1 mt -67.84 -29.89 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -60.73 -37.08 92.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.46 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.31 -34.16 75.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.1 86.98 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.339 0.59 . . . . 0.0 110.622 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.17 -45.04 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.871 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.92 -38.53 83.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.794 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.05 -45.06 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.511 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.85 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -128.84 78.23 76.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.532 0.206 . . . . 0.0 110.695 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.97 -29.94 3.94 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.375 2.05 . . . . 0.0 112.907 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.33 2.76 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -99.29 134.14 42.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.732 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.6 m-20 -71.92 114.21 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HG2' HD23 ' A' ' 62' ' ' LEU . 30.1 Cg_endo -65.21 -18.42 61.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.548 2.165 . . . . 0.0 110.955 174.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.62 -36.78 68.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.5 m -80.25 -24.85 39.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.475 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 23' ' ' ASP . 85.8 t -70.11 126.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.19 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -98.08 174.24 6.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -62.31 -39.19 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.7 m -62.83 -44.4 96.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.103 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -62.13 -56.28 20.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.527 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 36' ' ' ILE . 13.3 tmm? -59.56 -40.03 85.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.656 -176.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' HA ' HG22 ' A' ' 36' ' ' ILE . 28.9 t-80 -60.55 -33.07 72.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -67.47 -40.58 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -79.0 -42.51 26.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.188 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -64.66 -31.28 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.029 0.442 . . . . 0.0 109.905 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.63 -30.98 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.125 0.488 . . . . 0.0 110.157 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.53 35.57 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.303 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.644 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 72.0 mt -86.62 136.11 33.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.3 pm0 -75.48 -22.47 57.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.63 -11.28 29.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.468 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.644 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 t80 -81.38 134.31 35.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.95 98.49 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.26 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -161.6 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.446 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -145.72 98.98 4.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.945 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.99 -15.04 26.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.498 2.132 . . . . 0.0 113.135 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -91.59 -31.89 15.72 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.527 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.12 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.77 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB3' HD21 ' A' ' 54' ' ' LEU . 6.2 m 50.12 64.42 1.8 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.681 0.613 . . . . 0.0 111.611 176.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.846 ' HB2' HG12 ' A' ' 53' ' ' ILE . 1.8 m-20 -50.35 148.93 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.589 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.41 -35.57 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -56.72 -41.01 76.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.307 0.575 . . . . 0.0 109.921 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.846 HG12 ' HB2' ' A' ' 50' ' ' ASN . 13.2 mm -64.92 -55.99 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.127 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 49' ' ' SER . 89.6 mt -59.9 -38.3 81.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.494 -175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.0 tt0 -66.39 -42.03 88.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.304 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.28 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.973 0.416 . . . . 0.0 110.627 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 53' ' ' ILE . 63.8 mt -72.33 -29.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.399 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -73.67 -38.38 64.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.521 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 86.0 mt -63.4 -43.93 96.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.074 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG23 HH11 ' A' ' 9' ' ' ARG . 2.4 p -65.75 -34.31 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.532 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 5.5 t90 -64.36 -39.01 93.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.542 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.8 mt -61.81 -41.66 98.03 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.846 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -55.44 -46.31 76.76 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.362 . . . . 0.0 111.653 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.19 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.817 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.9 -54.87 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.492 -175.314 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.94 0.4 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 41' ' ' ASP . . . -106.24 -67.65 0.68 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.567 -175.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.2 105.59 7.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HE3' ' OD2' ' A' ' 44' ' ' ASP . 29.9 mmtp -77.91 146.95 35.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.44 ' HB3' HG23 ' A' ' 53' ' ' ILE . 98.1 m95 -64.06 -22.39 66.91 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.947 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -67.18 -26.56 66.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.332 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 27.1 m-20 -87.79 62.27 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 109.923 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -58.17 -35.64 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.007 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -73.05 -41.9 63.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 7' ' ' ASP . 5.2 mm-40 -61.26 -34.58 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.719 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 68.9 mt -82.7 -38.74 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.541 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.93 -45.01 94.2 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.292 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -71.78 -28.9 63.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.551 0.215 . . . . 0.0 110.616 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.54 99.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.279 0.562 . . . . 0.0 110.318 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 46.6 mt -67.07 -34.21 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.507 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.51 -34.41 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.416 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -67.88 -48.66 65.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.466 177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.45 69.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.687 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -123.89 75.67 57.38 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.11 -15.03 13.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.264 1.976 . . . . 0.0 111.502 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -90.41 -13.9 34.0 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.777 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.55 137.55 33.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.114 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 27' ' ' VAL . 10.9 m-20 -79.61 119.83 78.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.962 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HG3' ' HB3' ' A' ' 65' ' ' ALA . 39.5 Cg_endo -67.33 -18.16 49.89 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.046 1.831 . . . . 0.0 111.223 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG2' HD22 ' A' ' 62' ' ' LEU . 54.6 mtmt -84.27 -18.28 36.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.76 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 23' ' ' ASP . 18.7 p -91.18 -22.92 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 174.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 23' ' ' ASP . 67.5 t -72.79 132.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.618 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.536 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.6 mmp_? -101.47 168.68 9.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 173.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 42.6 m-85 -59.44 -44.3 92.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -174.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -58.12 -42.54 86.01 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.516 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -64.46 -48.37 75.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.128 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -59.3 -38.23 79.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.412 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' HA ' HG22 ' A' ' 36' ' ' ILE . 45.0 t60 -60.44 -24.02 64.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.95 -39.41 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.301 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -80.65 -44.15 19.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.768 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.36 -31.98 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -176.16 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.19 -20.77 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.83 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.65 26.7 10.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.502 0.668 . . . . 0.0 110.377 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 77.9 mt -81.74 138.6 35.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.556 ' O ' ' HA3' ' A' ' 2' ' ' GLY . 13.4 m-20 -84.51 -18.67 35.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.717 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -81.5 120.71 25.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.053 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.65 57.47 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.587 ' OD2' ' HE3' ' A' ' 4' ' ' LYS . 4.3 m-20 -137.02 -91.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -169.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -120.55 84.55 36.5 Favored Pre-proline 0 C--O 1.222 -0.349 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.803 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.45 -2.18 12.36 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 121.812 1.675 . . . . 0.0 111.718 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -84.25 -18.27 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.988 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 129.17 48.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.083 0.468 . . . . 0.0 111.568 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -157.77 55.92 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.763 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.556 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 45.7 t30 -57.3 153.56 12.01 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.695 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.98 -50.87 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.516 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -64.54 -26.02 68.24 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.556 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.59 -53.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 171.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.4 mt -66.56 -34.73 78.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.377 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 33.6 tt0 -62.56 -42.91 99.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.317 -177.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.12 84.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.151 0.5 . . . . 0.0 110.759 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.26 -33.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.477 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -72.34 -41.73 66.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.974 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -60.54 -44.27 96.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.831 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -68.05 -34.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.179 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -63.94 -39.6 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.4 mt -58.58 -49.72 76.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.56 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -74.56 -30.61 61.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -173.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.671 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.719 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . -90.92 21.61 4.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.16 178.429 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 26.0 ptt? . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 43' ' ' ASP . . . 121.51 29.99 1.35 Allowed Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.817 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 90.3 mt -70.8 103.75 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.688 0.28 . . . . 0.0 110.295 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.09 151.91 18.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.444 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 81.4 m95 -66.06 -14.01 60.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -74.23 -21.94 59.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.121 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -102.12 60.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.477 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 p -61.59 -30.95 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -74.47 -40.03 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 0.0 110.396 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.6 -37.84 87.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.269 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.628 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.64 -48.22 85.89 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.69 -33.7 76.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.649 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.67 72.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.44 -34.12 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.9 -45.54 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.715 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.41 -35.84 81.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.616 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.97 -46.78 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.703 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -131.28 79.32 70.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.678 0.275 . . . . 0.0 111.575 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -80.56 -27.09 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.78 2.32 . . . . 0.0 111.67 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.92 -22.53 45.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.049 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.95 123.01 32.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.671 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 m-20 -68.19 120.34 73.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.353 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.66 -19.72 61.87 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.824 2.349 . . . . 0.0 111.749 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -67.2 -38.64 85.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.436 0.636 . . . . 0.0 109.9 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -80.84 -19.37 44.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.045 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 32' ' ' MET . 25.0 t -74.68 115.6 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.636 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -91.09 158.83 16.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -58.33 -40.72 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 118.236 0.471 . . . . 0.0 111.429 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -67.28 -44.17 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.11 -41.35 95.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.335 0.588 . . . . 0.0 110.18 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.529 ' HB2' HG12 ' A' ' 27' ' ' VAL . 22.6 ttt -57.78 -42.0 83.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.382 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 -36.73 82.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.414 0.626 . . . . 0.0 110.814 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 8.6 m0 -86.89 -47.67 8.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.82 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.597 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -70.69 -30.12 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.629 0.252 . . . . 0.0 111.285 -174.17 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -79.72 -12.2 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.81 -0.556 . . . . 0.0 110.377 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.27 17.16 16.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.462 0.649 . . . . 0.0 110.269 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.747 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 80.6 mt -63.75 144.13 57.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.303 0.573 . . . . 0.0 110.467 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.41 -28.65 68.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.074 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.465 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 22.0 p-10 -114.49 3.75 15.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.747 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 82.9 t80 -61.13 134.37 56.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.974 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.515 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . 22.0 t70 -161.75 94.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.579 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -163.49 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.483 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -147.84 116.21 4.15 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 117.81 0.277 . . . . 0.0 110.537 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.31 -9.59 25.73 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.939 2.426 . . . . 0.0 113.911 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -101.72 -35.88 8.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.45 28.47 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 2.6 p -78.73 62.19 3.19 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.151 0.5 . . . . 0.0 109.784 174.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.561 ' HB2' HG12 ' A' ' 53' ' ' ILE . 85.9 m-20 -54.79 158.81 2.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.023 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 13.1 mp0 -58.67 -53.2 61.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.889 -174.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 55' ' ' GLU . 19.5 pttm -67.09 -18.5 65.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.504 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 50' ' ' ASN . 26.9 mm -65.87 -59.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.67 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 tt0 -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.782 178.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.71 83.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.4 . . . . 0.0 110.935 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 53' ' ' ILE . 63.8 mt -71.99 -37.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -65.59 -40.51 92.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.3 mt -62.24 -41.41 98.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.781 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.7 p -75.82 -30.31 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.209 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.2 mt -54.75 -51.0 67.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.028 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.77 -30.81 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.706 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -83.83 -34.96 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 0.0 111.425 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 -47.5 12.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.593 -0.718 . . . . 0.0 111.277 -175.387 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.06 -126.83 2.64 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.495 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.93 100.63 4.17 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 63.5 mmtt -72.09 158.14 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.743 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 67.1 m95 -60.76 -27.53 68.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 111.265 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.2 m -69.97 -22.68 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 11' ' ' ILE . 73.8 m-20 -85.33 45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -52.87 -38.12 61.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.535 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -67.3 -44.44 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.412 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 7' ' ' ASP . 68.0 mt -70.51 -37.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.67 -40.87 95.36 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.597 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.36 -47.94 80.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.63 76.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.455 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD11 ' SD ' ' A' ' 32' ' ' MET . 20.6 mt -63.49 -42.21 98.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.432 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -69.87 -37.75 76.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.37 . . . . 0.0 111.171 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.77 -44.08 57.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.998 0.427 . . . . 0.0 110.981 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 -29.92 35.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.733 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.52 74.55 74.32 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.819 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.55 -23.34 7.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.687 2.258 . . . . 0.0 112.671 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.15 -4.37 57.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.573 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.35 107.11 19.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.026 0.441 . . . . 0.0 110.66 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.1 t70 -67.83 123.1 86.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.781 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.554 ' HG2' HD23 ' A' ' 62' ' ' LEU . 23.5 Cg_endo -61.71 -19.88 66.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.163 2.576 . . . . 0.0 113.261 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 59.7 mttm -72.24 -45.96 58.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.817 0.341 . . . . 0.0 110.118 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 23' ' ' ASP . 12.2 t -77.8 -17.95 56.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 23' ' ' ASP . 69.8 t -76.09 121.97 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 176.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -91.22 163.95 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.242 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HE1' ' HA ' ' A' ' 55' ' ' GLU . 79.3 m-85 -59.34 -42.39 91.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.029 0.443 . . . . 0.0 110.172 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 6.1 m -61.57 -30.69 70.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.531 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.23 -44.85 14.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' HD11 ' A' ' 15' ' ' LEU . 14.0 tmm? -59.75 -38.19 81.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' HA ' HG22 ' A' ' 36' ' ' ILE . 48.4 t-80 -57.98 -30.9 66.4 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 30' ' ' THR . 73.1 mt-30 -68.67 -51.84 37.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.142 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.6 -38.5 67.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.196 -175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -67.17 -31.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.532 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.98 -21.15 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.281 0.562 . . . . 0.0 110.026 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.52 -7.59 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 69.6 mt -68.35 131.01 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.303 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -81.52 -15.3 55.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.95 -18.02 41.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.135 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -78.22 140.51 38.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.063 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -167.2 94.47 0.46 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.385 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 2.3 p30 -161.16 -89.77 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.221 170.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 5.9 m-20 -144.24 96.83 5.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.869 0.366 . . . . 0.0 111.298 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 45' ' ' ASP . 37.3 Cg_endo -66.24 -14.94 46.48 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 111.683 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -80.42 -14.98 57.86 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.92 -95.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.4 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.743 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 13.9 p 43.55 63.66 1.48 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.766 0.667 . . . . 0.0 112.622 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.462 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 90.0 m-20 -59.74 150.67 27.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.277 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.67 -33.54 72.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.876 -178.557 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 28.0 mtpp -61.73 -34.72 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.206 176.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.631 HG21 ' HB3' ' A' ' 5' ' ' TRP . 25.9 mm -66.01 -52.21 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.734 175.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 51' ' ' GLU . 39.7 mt -59.31 -35.92 74.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.307 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 tt0 -63.23 -46.33 87.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.877 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.85 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.994 0.426 . . . . 0.0 110.814 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.01 -37.11 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.1 tm? -70.76 -40.32 72.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.785 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.8 mt -61.36 -44.88 96.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.589 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.09 -31.32 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 24' ' ' PRO . 82.5 mt -57.88 -39.82 78.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.749 175.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.61 -47.36 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.744 -176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.73 -42.89 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.24 23.17 2.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.393 . . . . 0.0 111.444 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.601 176.723 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.77 0.319 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.9 -133.15 2.83 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 97.1 mt -59.92 125.68 24.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.0 111.345 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 146.6 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.616 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 53' ' ' ILE . 39.2 m95 -62.12 -29.48 70.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.15 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -66.1 -24.61 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.487 0.66 . . . . 0.0 110.099 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 11' ' ' ILE . 4.9 m-20 -99.6 50.36 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.704 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -60.91 -22.93 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -63.26 -45.51 91.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.82 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 7' ' ' ASP . 23.9 mm-40 -72.61 -32.97 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.961 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 7' ' ' ASP . 75.2 mt -67.83 -37.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.59 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.57 -45.82 94.99 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 173.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.11 -34.79 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.734 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.9 74.33 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.26 -38.94 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -70.33 -24.98 63.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.634 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.43 -46.13 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.6 -28.27 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 82.8 m-85 -130.43 78.0 75.0 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 -36.63 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.853 2.368 . . . . 0.0 112.74 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.51 -2.65 57.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 58.4 tp -90.32 118.47 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.286 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.412 ' OD2' HG22 ' A' ' 26' ' ' THR . 5.6 p-10 -76.65 138.91 66.57 Favored Pre-proline 0 N--CA 1.44 -0.949 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.529 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.62 ' HG2' HD23 ' A' ' 62' ' ' LEU . 98.2 Cg_endo -81.47 4.84 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.726 2.284 . . . . 0.0 111.716 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -77.6 -38.53 48.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.481 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.412 HG22 ' OD2' ' A' ' 23' ' ' ASP . 7.1 t -82.29 -16.94 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.101 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.08 131.12 35.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 111.535 -174.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -102.37 171.77 7.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.505 174.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.78 -48.38 79.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.724 0.297 . . . . 0.0 110.963 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 t -67.68 -33.44 74.94 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.19 -43.95 73.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.008 0.433 . . . . 0.0 110.343 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.32 -36.05 82.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.581 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' HG22 ' A' ' 36' ' ' ILE . 64.8 t-80 -60.53 -35.72 76.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.48 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -56.62 -59.72 4.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 0.0 110.098 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.094 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.585 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.39 -27.69 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.52 -44.61 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.216 -0.303 . . . . 0.0 111.318 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.63 19.07 14.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.585 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 60.8 mt -58.01 134.94 56.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.103 173.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.25 -29.75 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.13 -1.85 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.433 -175.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.513 ' CB ' ' HB2' ' A' ' 39' ' ' LEU . 62.2 t80 -81.03 114.87 20.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.807 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.14 97.17 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.166 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -164.04 -96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -145.4 94.66 5.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.24 -11.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.01 2.473 . . . . 0.0 112.505 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -83.06 -35.33 25.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.529 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.55 38.98 0.81 Allowed 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.409 ' HB3' HD21 ' A' ' 54' ' ' LEU . 14.6 m -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.586 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.5 m-20 -55.43 157.33 3.86 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.85 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.09 -53.74 54.98 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -60.32 -29.93 69.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.989 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.8 mm -58.97 -56.45 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.489 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 49' ' ' SER . 86.6 mt -69.72 -33.08 72.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.178 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 37.6 tt0 -63.31 -39.43 94.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.331 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.594 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.83 -36.22 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.368 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 tm? -69.35 -42.15 75.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.758 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.0 mt -62.49 -37.29 85.41 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.108 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.416 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.2 p -75.27 -35.44 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -66.8 -36.16 81.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD23 ' HG2' ' A' ' 24' ' ' PRO . 87.4 mt -55.49 -33.87 64.09 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.558 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.18 -43.1 18.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.656 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.83 -44.3 61.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -175.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -85.25 61.71 7.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 110.509 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.876 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.733 0.301 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.24 -169.98 12.4 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 94.0 mt -60.44 124.88 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.604 0.702 . . . . 0.0 109.864 174.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -106.23 167.82 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.997 -177.183 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HB3' HD12 ' A' ' 53' ' ' ILE . 19.7 m95 -78.84 66.88 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.767 0.794 . . . . 0.0 109.61 176.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 4' ' ' LYS . 11.2 t -169.71 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.101 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 14.2 m-20 -81.24 45.49 0.85 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.943 173.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -55.24 -38.11 68.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HG3' HG21 ' A' ' 60' ' ' VAL . 9.5 ttm180 -76.44 -35.58 58.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 -178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 5.2 mm-40 -67.35 -36.75 82.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.379 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.418 HG21 HG13 ' A' ' 36' ' ' ILE . 84.1 mt -71.39 -37.08 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.029 175.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.62 -51.57 51.38 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.777 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.61 -40.18 74.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.576 0.227 . . . . 0.0 110.904 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.83 78.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.4 -39.26 68.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.5 -36.72 84.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.212 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.39 -46.64 19.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.488 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.98 64.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.335 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -130.42 68.78 81.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.987 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.75 -18.01 19.75 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.275 1.984 . . . . 0.0 111.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.61 -2.83 58.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.969 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HG ' ' CH2' ' A' ' 35' ' ' TRP . 3.3 mm? -94.82 129.9 41.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.3 m-20 -84.92 114.02 53.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HG2' HD23 ' A' ' 62' ' ' LEU . 17.8 Cg_endo -59.97 -17.58 45.29 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.811 2.341 . . . . 0.0 112.21 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -65.56 -48.22 73.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 p -87.85 -23.2 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.909 -175.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 23' ' ' ASP . 93.4 t -62.89 117.52 3.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 28' ' ' ARG . 24.1 mtt180 -87.97 160.61 17.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.619 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.65 -39.54 80.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.885 0.311 . . . . 0.0 111.125 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.9 p -61.67 -44.21 97.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.597 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.41 -35.98 68.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.186 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -65.89 -38.6 89.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.514 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.624 ' HA ' HG22 ' A' ' 36' ' ' ILE . 53.0 t-80 -63.64 -35.38 80.36 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.587 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 60.9 tp60 -54.94 -53.09 60.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.284 0.564 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.44 ' CH2' ' HG ' ' A' ' 22' ' ' LEU . 15.4 m0 -68.31 -50.41 53.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.139 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.624 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -65.49 -34.51 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.65 -175.119 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 t -78.4 -16.88 57.15 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.008 -0.433 . . . . 0.0 110.166 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.69 -17.45 31.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.299 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.7 mt -58.19 128.24 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.775 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -81.74 -15.45 54.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.847 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -79.34 -18.71 51.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 109.182 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 36.0 t80 -87.74 129.0 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.18 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -160.65 108.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.712 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 19.1 t70 -163.11 -84.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.831 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -147.22 113.52 4.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 1.65 7.56 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.976 2.451 . . . . 0.0 113.654 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -110.06 -36.15 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.836 0.309 . . . . 0.0 111.836 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.44 34.91 0.53 Allowed 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 2.1 p -80.14 64.16 4.88 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.54 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 77.4 m-20 -48.89 150.98 1.32 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.978 177.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -41.38 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.985 -176.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -63.68 -33.34 75.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.025 0.441 . . . . 0.0 110.583 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.7 mm -61.55 -54.39 35.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.073 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.01 -35.71 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.43 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.5 tt0 -61.64 -42.99 99.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.19 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 110.909 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.93 -33.66 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.299 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.8 tm? -74.15 -39.6 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.758 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 93.4 mt -60.13 -45.82 91.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.684 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG21 ' HG3' ' A' ' 9' ' ' ARG . 11.7 p -65.57 -35.45 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.365 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -64.15 -44.21 92.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' HG2' ' A' ' 24' ' ' PRO . 86.8 mt -56.6 -39.54 73.74 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.104 0.478 . . . . 0.0 110.968 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.41 -43.53 55.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.745 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 20.2 mt-10 -77.0 -31.94 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.693 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.0 10.78 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.334 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.59 178.661 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 CA--C 1.506 -0.472 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HB3' HG12 ' A' ' 11' ' ' ILE . 70.9 mt -59.97 121.68 12.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.008 0.433 . . . . 0.0 110.242 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -100.65 146.1 27.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.522 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' A' ' 53' ' ' ILE . 14.2 m95 -56.95 -46.33 82.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.2 m -62.89 -28.71 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.246 0.546 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.34 57.85 4.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.714 0.769 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -66.45 -27.96 68.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.469 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HA ' HG21 ' A' ' 60' ' ' VAL . 31.3 ttm180 -68.41 -46.57 69.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.564 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.91 -34.71 73.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.245 0.545 . . . . 0.0 109.742 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 3' ' ' LEU . 67.7 mt -72.71 -42.73 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.62 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.674 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.16 -44.97 94.59 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -65.34 -38.39 89.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.95 91.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.996 0.426 . . . . 0.0 110.931 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD11 ' SD ' ' A' ' 32' ' ' MET . 18.9 mt -67.93 -42.51 80.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.214 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 35.1 t80 -72.03 -30.18 64.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.116 0.484 . . . . 0.0 110.624 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.01 -48.27 71.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.014 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.19 28.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.548 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.872 ' HB3' HD13 ' A' ' 22' ' ' LEU . 89.8 m-85 -128.8 66.13 74.6 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.778 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.38 -9.28 16.27 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.177 1.918 . . . . 0.0 111.128 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.57 -16.48 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.49 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.872 HD13 ' HB3' ' A' ' 19' ' ' TYR . 7.3 mp -97.51 141.72 30.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.125 -175.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 27' ' ' VAL . 12.8 t70 -93.14 118.72 67.85 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.47 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.65 ' HG2' HD23 ' A' ' 62' ' ' LEU . 36.7 Cg_endo -65.99 -7.77 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.184 2.589 . . . . 0.0 113.868 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -81.39 -38.16 27.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.362 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 23' ' ' ASP . 96.4 t -83.69 119.3 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.513 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -93.18 175.57 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.95 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 23.1 m-85 -62.58 -42.02 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.402 . . . . 0.0 110.427 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.529 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.0 m -55.77 -54.08 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.123 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.18 -44.0 97.99 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.345 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.462 ' SD ' HD11 ' A' ' 15' ' ' LEU . 13.6 tmm? -63.46 -43.23 97.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.33 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.626 ' HA ' HG22 ' A' ' 36' ' ' ILE . 30.8 t-80 -62.96 -28.94 70.43 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.994 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 30' ' ' THR . 27.7 mt-30 -65.65 -47.35 75.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.147 0.499 . . . . 0.0 109.897 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -76.59 -40.8 48.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.765 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.626 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -66.01 -33.04 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.755 0.312 . . . . 0.0 110.682 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.09 -17.51 49.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.235 0.54 . . . . 0.0 109.918 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.087 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.4 mt -57.18 129.68 42.84 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.144 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.19 -27.98 64.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.206 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.19 -18.56 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -64.33 127.8 33.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.89 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.489 ' HB3' ' HA3' ' A' ' 2' ' ' GLY . 24.5 t70 -161.67 94.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.419 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -154.87 -90.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.336 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.72 111.91 3.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.213 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.05 -18.28 61.45 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.799 2.333 . . . . 0.0 113.821 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -103.08 -35.65 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.771 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.8 50.56 0.71 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.291 0.567 . . . . 0.0 111.806 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.442 ' HB3' HD21 ' A' ' 54' ' ' LEU . 13.1 m -93.37 66.59 3.97 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.548 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 22.6 m-20 -49.16 151.89 1.27 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.722 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.69 -51.55 65.18 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.467 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 71.8 mmtt -65.12 -24.16 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.307 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 23.4 mm -62.45 -53.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 49' ' ' SER . 84.8 mt -67.65 -34.67 77.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.504 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 34.3 tt0 -63.57 -44.68 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.29 84.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.151 0.501 . . . . 0.0 110.69 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.405 ' HA ' HG12 ' A' ' 60' ' ' VAL . 66.4 mt -69.78 -36.46 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.659 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.42 -43.7 76.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' A' ' 62' ' ' LEU . 84.1 mt -64.53 -39.08 93.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.577 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.674 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -72.94 -29.28 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.514 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -64.82 -44.05 91.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.65 HD23 ' HG2' ' A' ' 24' ' ' PRO . 68.7 mt -55.86 -44.1 77.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.325 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.04 -46.14 88.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.027 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -72.96 -44.49 61.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.859 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -174.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 95.0 mt -62.18 127.11 29.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.785 0.326 . . . . 0.0 110.772 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.1 mmmp? -96.28 166.96 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.653 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 25.1 m95 -72.97 21.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.424 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.2 m -124.58 -13.05 7.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.232 0.539 . . . . 0.0 110.141 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 11' ' ' ILE . 11.6 m-20 -89.92 48.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -59.38 -34.24 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HA ' HG21 ' A' ' 60' ' ' VAL . 70.2 ttt-85 -63.57 -53.67 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.707 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.35 -28.99 69.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.703 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 7' ' ' ASP . 76.4 mt -71.01 -40.28 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.019 0.438 . . . . 0.0 109.884 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -61.0 -43.57 99.28 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.906 176.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 45.0 mt-10 -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.76 84.02 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.456 HD11 ' SD ' ' A' ' 32' ' ' MET . 25.9 mt -64.96 -44.79 88.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.768 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -64.29 -40.01 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.41 -40.29 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.65 60.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.82 75.61 75.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.745 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -74.14 -22.24 17.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.211 1.941 . . . . 0.0 112.172 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -84.65 -11.88 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.327 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 22' ' ' LEU . 34.1 mt -90.02 122.38 32.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 111.0 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.74 123.26 63.88 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.69 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HG2' HD23 ' A' ' 62' ' ' LEU . 22.3 Cg_endo -60.48 -13.71 26.68 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.648 2.898 . . . . 0.0 113.825 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.15 -38.14 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.702 0.287 . . . . 0.0 110.49 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -91.29 -16.2 27.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 0.0 110.465 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 85.2 t -76.61 109.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.103 0.477 . . . . 0.0 110.25 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -87.21 168.71 12.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.547 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -55.96 -45.41 78.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -60.61 -38.69 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.93 -49.37 52.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.456 ' SD ' HD11 ' A' ' 15' ' ' LEU . 11.0 tmm? -60.79 -43.34 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.14 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -55.3 -33.6 63.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.238 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.527 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.7 tp60 -71.79 -52.12 19.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.104 0.478 . . . . 0.0 110.599 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -70.12 -33.07 71.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.373 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.32 -30.71 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 176.644 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -72.58 -24.84 61.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.332 0.586 . . . . 0.0 109.853 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.39 20.43 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 67.8 mt -90.37 133.07 35.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.74 -26.68 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 109.85 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.35 -18.25 46.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.537 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.605 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 50.3 t80 -78.82 135.14 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 175.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -165.61 83.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.99 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.521 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 60.2 t0 -135.01 -90.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.59 104.72 3.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.558 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.63 -4.71 15.61 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.281 1.988 . . . . 0.0 112.277 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -90.57 -28.55 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.197 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.96 -101.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.044 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.653 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 18.0 p 46.15 61.69 2.6 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.195 0.598 . . . . 0.0 112.038 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -75.36 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.41 -46.69 66.41 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -57.3 -40.42 77.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.658 0.266 . . . . 0.0 111.26 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.92 -49.35 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.355 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.01 -37.11 85.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.2 tt0 -59.14 -48.15 82.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.659 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.79 74.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.79 -36.5 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.762 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.4 tm? -68.75 -38.29 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.0 mt -58.41 -48.96 78.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.904 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.575 HG13 ' HA3' ' A' ' 12' ' ' GLY . 14.9 p -68.01 -30.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -67.65 -37.44 82.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.3 mt -61.43 -31.08 71.01 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.911 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.64 -43.55 59.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.36 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.91 -50.53 14.76 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.52 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 121.228 0.537 . . . . 0.0 110.655 176.671 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.736 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 78.0 mt -60.51 110.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 110.051 174.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 1.9 mmmp? -91.07 153.93 19.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.843 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -64.3 -20.65 66.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.954 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -77.88 -24.47 48.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.138 0.494 . . . . 0.0 110.755 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.85 47.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.989 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 p -53.41 -38.41 63.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.179 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -66.62 -48.23 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.58 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.65 -32.68 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.931 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -74.96 -40.81 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.512 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.65 -37.79 84.87 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.192 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.46 -43.8 88.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.575 0.226 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.59 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.94 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD11 ' SD ' ' A' ' 32' ' ' MET . 45.5 mt -64.79 -43.42 93.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.699 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -70.15 -30.81 68.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.993 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.22 -36.56 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.32 -38.69 18.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.38 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.9 75.38 76.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.825 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.78 -36.98 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.664 2.243 . . . . 0.0 112.433 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -90.73 -0.42 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.259 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -89.51 130.98 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.12 112.33 7.99 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.941 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' HB2' HD23 ' A' ' 62' ' ' LEU . 58.3 Cg_endo -73.67 -19.48 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.659 2.24 . . . . 0.0 113.075 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -67.52 -42.04 83.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.094 0.473 . . . . 0.0 110.53 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -87.43 24.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.208 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.85 117.65 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 0.0 110.151 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -76.64 157.04 32.17 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -58.34 -32.24 68.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.424 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -62.02 -46.08 90.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -60.42 -51.87 67.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.225 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.425 ' SD ' HD11 ' A' ' 15' ' ' LEU . 10.1 tmm? -61.68 -44.69 96.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.848 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -54.55 -38.04 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -51.59 38.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.914 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -67.2 -39.93 86.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.925 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.686 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.05 -31.68 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.9 t -69.19 -31.87 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.82 21.02 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.469 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.686 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 50.4 mt -77.62 129.15 35.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.33 -12.32 61.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.284 0.564 . . . . 0.0 110.283 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.02 -18.47 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.364 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 47.4 t80 -79.39 136.49 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -165.42 92.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.734 175.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -149.16 -97.35 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.136 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.19 111.45 4.37 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.68 -24.94 24.88 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.002 2.468 . . . . 0.0 114.36 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -99.39 -7.3 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.68 -53.46 18.51 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.796 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.429 ' HB3' HD21 ' A' ' 54' ' ' LEU . 5.3 m -21.43 81.86 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 125.596 1.81 . . . . 0.0 114.494 -168.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.547 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 42.4 m-80 -67.49 150.86 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.996 171.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 4.1 mp0 -55.38 -49.13 73.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.695 0.283 . . . . 0.0 110.666 -177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -67.27 -17.7 64.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.59 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.547 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 13.3 mm -70.73 -48.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.448 0.642 . . . . 0.0 109.302 171.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 49' ' ' SER . 57.1 mt -72.9 -20.26 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.328 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.7 tp10 -52.68 -53.59 45.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.278 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.71 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.06 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mt -72.59 -30.82 35.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.601 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -77.56 -37.17 51.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.509 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.4 mt -62.37 -46.06 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.179 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.512 HG13 ' HA3' ' A' ' 12' ' ' GLY . 8.0 p -65.99 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.271 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -62.33 -48.75 78.43 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 24' ' ' PRO . 95.4 mt -55.9 -53.52 55.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.63 -32.3 70.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.76 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -86.6 -47.01 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -172.622 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.439 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 N--CA 1.442 -0.912 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.02 126.28 27.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.674 0.273 . . . . 0.0 110.566 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' O ' HD11 ' A' ' 11' ' ' ILE . 61.2 mmtt -86.6 158.83 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.51 ' HB3' HG21 ' A' ' 53' ' ' ILE . 97.0 m95 -67.43 -21.33 65.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.344 0.592 . . . . 0.0 109.751 175.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -73.06 -21.06 60.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.284 175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 11' ' ' ILE . 67.8 m-20 -86.06 48.13 1.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.543 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.9 p -57.4 -30.17 64.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.928 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' NH1' ' HB ' ' A' ' 60' ' ' VAL . 8.9 tpp180 -68.99 -50.59 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -68.69 -30.3 68.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.933 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 7' ' ' ASP . 63.6 mt -68.47 -43.51 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -59.67 -40.91 97.1 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.549 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.35 -44.79 88.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 110.511 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.94 83.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.338 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.15 -38.24 78.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.42 -36.24 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.78 -43.59 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.865 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.48 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.614 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 75.6 m-85 -129.4 76.22 79.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.74 -28.1 5.5 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.466 2.111 . . . . 0.0 113.098 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.91 -1.96 57.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.921 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 1.6 tt -89.58 120.35 30.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.806 -175.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 26' ' ' THR . 12.1 t70 -61.09 120.49 54.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.228 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HG3' ' HB3' ' A' ' 65' ' ' ALA . 49.3 Cg_endo -68.49 -15.26 41.48 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.695 2.263 . . . . 0.0 113.178 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -84.12 -24.22 30.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.319 . . . . 0.0 110.93 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 23' ' ' ASP . 8.0 t -88.09 -4.0 58.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.34 0.591 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -90.49 114.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -99.12 175.38 5.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -57.6 -49.29 76.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m -68.8 -40.78 79.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.979 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.69 -47.89 84.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.242 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttp -63.15 -38.08 89.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' HG22 ' A' ' 36' ' ' ILE . 56.9 t-80 -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.927 -178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -68.22 -43.71 77.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.152 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -70.87 -44.52 66.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.13 -29.54 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.14 -176.57 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 t -67.09 -32.45 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.745 0.307 . . . . 0.0 110.868 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.81 16.47 19.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.684 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 51.9 mt -76.62 135.3 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.088 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.48 -28.02 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.59 -19.25 60.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.342 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -90.12 126.13 35.68 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.83 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.439 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 25.7 t70 -152.85 81.72 1.22 Allowed 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 15.3 t70 -160.1 -151.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.472 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 18.7 m-20 -93.2 103.49 9.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.115 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 44' ' ' ASP . 73.4 Cg_endo -79.18 -1.39 11.52 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.909 2.406 . . . . 0.0 112.348 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.15 -9.43 56.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.153 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.42 -100.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.448 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 5.3 p 42.83 62.38 1.79 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.783 0.677 . . . . 0.0 112.493 177.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.42 167.63 2.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.36 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.41 -49.55 72.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.968 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.66 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 10.7 mmpt? -57.07 -37.48 71.92 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.526 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 5' ' ' TRP . 48.4 mm -64.57 -50.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.477 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.91 -33.7 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.638 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.591 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.6 tt0 -59.08 -44.33 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.8 mt -72.28 -32.59 43.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.396 0.617 . . . . 0.0 110.441 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.0 tm? -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.787 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 88.8 mt -62.88 -46.02 89.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.692 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 4.2 p -64.26 -37.73 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.595 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -61.53 -44.49 96.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.566 HD23 ' HB2' ' A' ' 24' ' ' PRO . 93.0 mt -55.58 -55.68 29.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.091 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.65 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.785 -172.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -75.88 -31.72 59.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.643 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.719 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 93.9 mt -60.73 135.73 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.699 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 29.2 mmtp -99.32 161.87 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.508 ' HB3' HG23 ' A' ' 53' ' ' ILE . 60.0 m95 -62.26 -19.41 63.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -84.03 -10.64 57.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.928 0.394 . . . . 0.0 111.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.0 51.1 1.98 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.208 0.528 . . . . 0.0 109.734 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.474 ' O ' HG11 ' A' ' 60' ' ' VAL . 26.4 p -57.28 -37.34 72.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.581 -173.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.7 ttp180 -62.93 -50.39 71.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.16 -177.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -64.94 -34.38 78.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.59 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 57' ' ' ILE . 81.2 mt -69.63 -41.14 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.515 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -62.44 -43.39 99.11 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.075 -0.584 . . . . 0.0 111.852 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.81 -38.5 88.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.96 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.43 -40.94 89.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.042 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.88 -32.9 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.02 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.12 -45.78 55.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 -31.57 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.803 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -128.99 69.08 80.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.72 0.295 . . . . 0.0 111.012 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.69 -11.33 16.95 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.499 2.132 . . . . 0.0 112.394 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.34 -15.03 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.4 mt -91.53 107.3 19.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.96 127.41 93.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.297 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HG2' HD23 ' A' ' 62' ' ' LEU . 26.1 Cg_endo -62.63 -9.1 14.82 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.164 2.576 . . . . 0.0 113.976 -173.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -78.92 -24.87 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -88.46 -25.32 22.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.4 t -86.14 117.98 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -92.82 169.04 10.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -55.66 -41.28 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.183 0.302 . . . . 0.0 110.527 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -53.42 -50.3 65.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.76 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.1 -40.84 59.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -58.64 -37.7 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.311 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -62.01 -35.18 77.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.93 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.51 -58.91 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 0.0 110.276 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -64.94 -39.91 94.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.204 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -69.12 -30.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -177.671 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -77.58 -26.3 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.43 3.08 45.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.579 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 70.6 mt -70.09 121.41 17.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.67 -23.6 61.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.53 -19.34 45.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.061 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.594 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 78.0 t80 -91.55 131.0 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.423 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -163.43 92.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.12 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.699 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 51.3 t0 -131.15 -82.16 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.247 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -147.54 113.31 4.04 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.985 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 -20.2 29.68 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.453 2.102 . . . . 0.0 113.51 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -90.19 -37.1 14.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.998 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.91 116.9 22.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.188 0.518 . . . . 0.0 110.796 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 56.96 0.87 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 94.2 m-20 -51.59 153.24 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.887 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -49.8 -48.42 50.7 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -54.53 -42.26 70.67 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.845 0.355 . . . . 0.0 111.536 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 5' ' ' TRP . 39.1 mm -56.01 -53.62 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.927 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.58 -30.58 63.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.802 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.7 tt0 -61.11 -46.96 88.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.729 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.97 74.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 11' ' ' ILE . 59.2 mt -72.51 -37.5 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.7 mt -62.15 -43.89 97.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.501 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 9' ' ' ARG . 12.8 p -73.0 -27.97 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.686 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -66.1 -44.59 83.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 ' HG2' ' A' ' 24' ' ' PRO . 84.3 mt -59.95 -33.89 72.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.424 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.04 -46.22 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.574 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.15 -45.38 49.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.491 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.404 0 CA-C-O 121.32 0.581 . . . . 0.0 110.731 -178.905 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 N--CA 1.446 -0.683 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 91.1 mt -61.97 126.02 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.627 ' HD2' ' OD2' ' A' ' 44' ' ' ASP . 16.9 mmtp -93.37 163.32 13.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.321 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.669 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 48.5 m95 -71.01 -28.5 64.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 p -77.52 -18.33 57.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 4' ' ' LYS . 4.7 m-20 -90.54 44.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.835 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.8 p -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.706 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.8 -47.72 82.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 110.063 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.07 -35.26 80.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.096 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 36' ' ' ILE . 61.1 mt -71.68 -38.29 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.82 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.664 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -56.5 -47.24 85.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.252 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.593 0.235 . . . . 0.0 110.86 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.47 74.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.081 0.467 . . . . 0.0 110.356 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.86 -38.46 86.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.689 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.59 -37.78 88.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.869 0.366 . . . . 0.0 111.044 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.1 -36.19 72.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.853 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -45.72 43.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.058 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -125.24 72.57 65.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 -32.71 3.83 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.277 1.984 . . . . 0.0 112.689 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -90.63 0.78 57.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 23' ' ' ASP . 4.1 tt -89.25 131.48 35.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' HD23 ' A' ' 22' ' ' LEU . 12.3 t70 -66.77 111.3 6.59 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.53 -6.64 17.2 Favored 'Trans proline' 0 CA--C 1.528 0.203 0 C-N-CA 122.447 2.098 . . . . 0.0 112.78 -175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -84.27 -27.46 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.787 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 t -90.05 -2.33 58.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.001 177.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -83.98 114.56 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -88.54 172.13 9.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.59 -42.56 99.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.821 0.343 . . . . 0.0 110.484 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.1 m -59.03 -48.49 81.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.16 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.62 -46.95 80.43 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.195 0.521 . . . . 0.0 110.121 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 ttp -59.44 -38.51 80.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.337 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.701 ' HA ' HG22 ' A' ' 36' ' ' ILE . 14.1 t-80 -63.34 -29.19 70.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -69.11 -38.73 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.57 -43.1 16.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.701 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -66.14 -33.0 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -176.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 12.5 t -76.81 -15.65 59.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 0.0 110.624 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -106.81 9.39 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.569 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 81.3 mt -66.74 144.17 56.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.811 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -75.61 -22.09 57.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.425 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -95.78 -15.64 22.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.178 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.7 t80 -78.53 136.43 37.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.23 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.445 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 33.9 t70 -167.74 102.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.42 174.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.627 ' OD2' ' HD2' ' A' ' 4' ' ' LYS . 16.1 t70 -151.13 -87.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.855 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -146.87 115.78 4.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 5.4 Cg_exo -72.98 -27.4 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.528 2.152 . . . . 0.0 111.865 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.76 35.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.829 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.56 -103.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.993 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.669 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 12.3 p 44.48 64.6 1.28 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -55.58 150.8 11.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 170.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.525 -172.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -66.1 -34.61 78.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.617 HG21 ' HB3' ' A' ' 5' ' ' TRP . 38.4 mm -69.15 -47.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.582 0.706 . . . . 0.0 109.456 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 49' ' ' SER . 65.9 mt -61.66 -31.89 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.497 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.5 tt0 -58.4 -48.27 81.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.813 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.92 78.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.74 -39.96 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.295 0.569 . . . . 0.0 110.311 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.438 HD13 ' HG ' ' A' ' 62' ' ' LEU . 1.1 tm? -67.97 -38.07 82.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.785 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -62.9 -47.65 82.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.664 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -66.49 -31.54 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.751 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -65.0 -48.33 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HG ' HD13 ' A' ' 58' ' ' LEU . 82.6 mt -57.44 -48.36 79.37 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.183 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.99 -39.42 74.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.811 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.3 -41.66 60.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.757 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.02 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.456 ' HB3' HG12 ' A' ' 11' ' ' ILE . 91.1 mt -67.36 113.85 5.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 172.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -92.32 161.52 14.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.535 ' HB3' HD12 ' A' ' 53' ' ' ILE . 3.3 m95 -66.06 -12.17 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -85.98 -16.84 37.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 51.7 m-20 -89.8 47.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.821 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 p -51.75 -39.33 58.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.407 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.615 ' HA ' HG21 ' A' ' 60' ' ' VAL . 16.0 ttt180 -72.09 -48.43 44.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.654 0.264 . . . . 0.0 110.461 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 35.1 mt-10 -63.55 -25.51 68.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 3' ' ' LEU . 67.0 mt -78.08 -42.93 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.098 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.13 97.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.856 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.48 -42.18 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.653 0.264 . . . . 0.0 110.802 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.36 84.83 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.14 0.495 . . . . 0.0 110.751 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 58.3 mt -64.2 -47.94 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.797 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -62.75 -44.19 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.172 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.15 -41.16 82.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.394 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.25 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.707 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -124.66 72.39 60.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.331 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.15 -12.43 15.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.092 1.861 . . . . 0.0 111.221 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.18 -6.63 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.48 130.15 56.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.434 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -84.63 123.52 74.27 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HB3' ' CD2' ' A' ' 61' ' ' TRP . 32.8 Cg_endo -64.62 -10.85 26.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.042 2.495 . . . . 0.0 111.927 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -60.43 -45.7 92.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.442 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -90.25 -5.61 56.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.143 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.2 t -81.77 118.68 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -85.53 166.58 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.91 177.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -60.95 -38.58 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.99 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -57.38 -43.02 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.64 -44.95 55.54 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.29 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.235 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.574 ' HA ' HG22 ' A' ' 36' ' ' ILE . 17.8 t-80 -61.94 -31.92 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.14 -45.45 81.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.203 0.525 . . . . 0.0 109.693 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -74.43 -42.5 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.052 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -63.18 -33.95 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.712 -178.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 m -75.1 -21.1 59.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.039 0.447 . . . . 0.0 110.98 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -87.99 -10.82 49.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.359 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 68.7 mt -67.29 127.48 32.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.155 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.55 -18.98 58.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.57 -20.23 60.02 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.443 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -85.31 133.79 34.13 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.929 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.36 74.08 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.744 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -139.29 -90.48 0.19 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -145.86 109.87 4.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 122.319 -0.238 . . . . 0.0 110.695 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.99 -5.21 15.69 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.245 1.963 . . . . 0.0 113.391 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -100.67 -38.32 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.282 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.04 58.67 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.311 0.577 . . . . 0.0 111.252 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' HD21 ' A' ' 54' ' ' LEU . 13.9 m -101.96 55.36 0.8 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -60.75 157.3 15.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.613 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.27 -43.86 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -169.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 52' ' ' LYS . 1.9 tmmm? -52.14 -43.37 64.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.019 0.438 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 5' ' ' TRP . 47.1 mm -62.56 -59.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.139 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 49' ' ' SER . 85.0 mt -66.31 -29.25 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.433 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -61.97 -52.75 62.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.491 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 60' ' ' VAL . . . -57.97 -36.91 73.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.945 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -65.1 -39.29 92.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.292 -178.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.6 mt -58.91 -41.17 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.615 HG21 ' HA ' ' A' ' 9' ' ' ARG . 80.6 t -61.37 -46.78 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.459 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.452 ' CD2' ' HB3' ' A' ' 24' ' ' PRO . 5.4 t90 -60.83 -42.69 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.29 -30.06 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.228 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -82.4 -36.44 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.549 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 39.2 mt-10 -85.86 -21.18 28.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.588 -179.191 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.646 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 95.8 mt -74.04 129.1 37.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.905 0.383 . . . . 0.0 110.802 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 44' ' ' ASP . 67.3 mmtt -105.2 174.15 6.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 171.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -71.64 -19.3 62.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.487 0.66 . . . . 0.0 109.516 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 m -67.37 -24.85 65.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.213 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 29.9 m-20 -90.44 41.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -59.55 -30.84 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.754 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -70.2 -49.83 46.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.547 . . . . 0.0 109.762 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 19.6 mp0 -59.97 -38.96 84.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.444 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.7 mt -66.78 -39.42 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.589 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.67 -42.37 97.84 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.857 176.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.47 -41.91 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.16 76.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.141 0.496 . . . . 0.0 111.043 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 54.7 mt -65.06 -44.09 90.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.403 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 58.8 t80 -71.73 -27.83 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.02 -37.26 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.24 -36.7 46.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.343 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -129.53 70.84 82.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.304 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.2 -29.55 4.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.124 1.883 . . . . 0.0 111.898 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.71 46.22 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.818 0.818 . . . . 0.0 109.915 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.93 132.78 15.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.612 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.33 118.55 72.22 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.3 . . . . 0.0 110.497 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.556 ' HG2' HD23 ' A' ' 62' ' ' LEU . 40.2 Cg_endo -69.2 -4.98 14.75 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.535 2.157 . . . . 0.0 112.317 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.82 -31.62 25.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.779 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -82.26 -24.69 34.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.131 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.0 123.7 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.74 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -95.59 177.13 5.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.911 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -68.34 -35.23 77.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -68.38 -47.55 67.06 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.996 0.427 . . . . 0.0 110.025 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.433 ' SD ' HD11 ' A' ' 15' ' ' LEU . 13.8 tmm? -62.97 -44.17 96.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.677 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.595 ' HA ' HG22 ' A' ' 36' ' ' ILE . 61.1 t-80 -61.48 -32.81 72.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -58.46 -49.16 78.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 0.0 110.171 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -73.83 -43.09 59.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.824 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.688 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.45 -23.79 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 -177.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 t -72.32 -28.62 63.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.88 18.07 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.549 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.688 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 33.8 mt -63.34 116.68 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.68 -34.15 70.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.581 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' OD2' ' HG ' ' A' ' 3' ' ' LEU . 36.4 t70 -82.13 -17.42 46.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.433 . . . . 0.0 110.96 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 86.8 t80 -77.65 130.95 37.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -152.62 90.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.884 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' ' 4' ' ' LYS . 32.8 t70 -152.55 -94.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.537 173.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.32 106.55 4.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.633 0.254 . . . . 0.0 110.462 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.32 -27.33 84.66 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.924 2.416 . . . . 0.0 114.067 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -97.01 -0.41 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -172.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.05 28.15 1.24 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -77.02 67.58 3.03 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.608 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.521 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 64.9 m-20 -54.07 157.15 2.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.613 173.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -52.73 -56.82 12.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.613 0.244 . . . . 0.0 111.584 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 55' ' ' GLU . 67.1 mmtt -68.15 -21.04 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.256 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.55 -54.85 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.49 -34.47 74.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.632 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.511 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.4 tt0 -58.73 -50.43 73.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.47 73.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 111.145 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.64 -35.58 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -73.82 -39.24 64.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.792 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.682 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.589 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -67.15 -32.22 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -63.91 -47.31 81.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 24' ' ' PRO . 96.1 mt -58.24 -43.06 87.6 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.933 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.04 -34.02 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.674 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -86.32 -22.12 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.27 0 N-CA-C 112.24 -0.344 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.37 119.98 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.956 0.407 . . . . 0.0 111.271 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -92.15 151.32 20.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.448 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.632 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 84.9 m95 -66.4 -16.43 64.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.611 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -77.5 -6.95 55.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 43.1 m-20 -106.77 48.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.924 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -63.26 -27.53 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.784 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 37.3 ttp180 -73.72 -45.85 49.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 18.5 mp0 -56.61 -44.97 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.468 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.71 -35.97 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.44 -40.17 95.8 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.941 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 43.2 mt-10 -60.47 -46.48 89.93 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.5 -46.2 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.319 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -68.15 -47.32 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.72 -31.71 69.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.0 111.195 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -78.29 -38.18 43.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.695 0.283 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.35 55.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.834 0.35 . . . . 0.0 111.113 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 96.7 m-85 -127.64 68.64 74.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.221 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -18.56 14.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.008 1.805 . . . . 0.0 111.648 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -90.88 6.64 43.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.351 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 4.4 mm? -108.6 134.42 51.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.122 0.487 . . . . 0.0 110.893 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 26' ' ' THR . 13.7 t70 -85.37 122.39 73.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.164 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HG2' HD23 ' A' ' 62' ' ' LEU . 33.0 Cg_endo -65.02 -15.72 51.89 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.806 2.337 . . . . 0.0 113.12 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -84.09 -31.27 25.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.705 0.288 . . . . 0.0 110.96 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -87.11 -17.81 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.756 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 23' ' ' ASP . 91.6 t -82.2 105.58 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -86.7 177.4 7.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.232 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.587 0.232 . . . . 0.0 110.864 -176.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -36.28 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.503 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.74 -49.03 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.995 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.5 -35.55 63.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.734 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.5 -51.88 15.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.008 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -61.91 -47.21 85.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.966 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -65.97 -35.39 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.829 -176.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 84.5 m -79.08 -11.89 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.062 0.458 . . . . 0.0 110.922 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -96.36 -4.64 41.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.369 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 80.7 mt -60.46 141.16 56.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.364 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.15 -36.97 80.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.356 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -96.57 -2.65 44.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 37' ' ' CYS . 58.1 t80 -77.65 117.26 18.89 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.507 169.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -161.53 83.89 0.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -144.7 -80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.016 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.32 103.42 4.34 Favored Pre-proline 0 C--N 1.33 -0.25 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.088 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.54 2.25 8.52 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.946 2.431 . . . . 0.0 113.037 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -104.42 -35.34 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.41 13.79 9.28 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.632 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 3.8 p -76.6 53.62 0.89 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.701 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -61.49 166.18 4.26 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.924 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.34 -45.81 80.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -69.25 -29.73 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.407 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 0.0 109.813 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.41 -35.61 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.378 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.5 tt0 -61.5 -44.14 97.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.61 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.8 mt -79.91 -29.83 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.497 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -37.19 63.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.807 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.7 mt -61.62 -41.84 98.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.796 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.42 -33.42 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 4.3 t90 -64.07 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.2 mt -59.6 -46.17 89.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.433 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.82 -37.99 73.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.627 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.58 -20.8 58.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.502 178.165 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.574 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 N--CA 1.445 -0.718 0 N-CA-C 111.741 -0.543 . . . . 0.0 111.741 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 96.1 mt -66.56 102.36 0.89 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.956 0.408 . . . . 0.0 110.796 177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 73.8 mmtt -91.86 154.09 19.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.515 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.417 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 34.0 m95 -61.31 -25.33 67.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.528 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -6.87 59.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.08 0.467 . . . . 0.0 111.247 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.8 m-20 -107.91 45.08 1.03 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.221 175.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -57.65 -30.46 65.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.563 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.4 ttp180 -66.16 -46.64 76.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.6 -36.59 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.042 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.467 HG12 ' HB3' ' A' ' 3' ' ' LEU . 61.2 mt -69.0 -39.78 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.757 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.11 -47.54 88.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.086 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.98 -35.92 81.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.446 0.165 . . . . 0.0 110.673 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.34 90.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.19 0.519 . . . . 0.0 110.847 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 39' ' ' LEU . 37.5 mt -68.35 -39.72 81.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.961 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -70.62 -33.45 71.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.83 -41.24 75.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 -35.33 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.65 78.44 74.88 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.482 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.25 -35.63 2.22 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.839 2.359 . . . . 0.0 112.486 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.86 -3.02 59.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -89.82 120.66 31.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.186 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 25' ' ' LYS . 18.8 t70 -75.49 119.29 76.35 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.86 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HG2' HD23 ' A' ' 62' ' ' LEU . 39.4 Cg_endo -66.65 -10.96 29.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.06 2.507 . . . . 0.0 113.387 -175.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 49.1 mttm -83.87 -24.7 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -88.62 -7.62 56.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 110.259 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.29 105.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.892 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -87.39 169.31 12.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HE1' ' HA ' ' A' ' 55' ' ' GLU . 77.6 m-85 -57.38 -38.36 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 0.0 111.208 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -64.66 -42.69 95.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.284 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.56 ' HA ' HE21 ' A' ' 34' ' ' GLN . 10.0 m-20 -65.51 -50.26 65.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.16 0.505 . . . . 0.0 109.89 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -59.55 -39.11 82.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.619 ' HA ' HG22 ' A' ' 36' ' ' ILE . 34.5 t-80 -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.56 HE21 ' HA ' ' A' ' 31' ' ' ASP . 45.8 mt-30 -65.7 -39.12 90.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.688 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -86.5 -37.44 18.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.83 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.624 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.16 -35.87 65.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.679 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.13 -12.73 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.276 0.56 . . . . 0.0 110.241 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -115.55 24.79 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.978 0.894 . . . . 0.0 109.576 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 63.6 mt -75.87 137.63 40.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.965 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.96 -34.32 77.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.246 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -92.5 -10.97 35.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.21 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.707 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 76.2 t80 -61.88 127.39 31.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.574 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 25.9 t70 -148.34 79.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.587 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.509 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 45.9 t0 -170.05 172.49 6.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.12 107.29 4.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 122.796 0.438 . . . . 0.0 111.779 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 44' ' ' ASP . 29.4 Cg_endo -69.71 -9.18 25.5 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.125 2.55 . . . . 0.0 113.348 -175.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.1 -36.97 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.31 24.82 0.42 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.388 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.462 ' HB2' HD21 ' A' ' 54' ' ' LEU . 55.4 p -76.52 65.78 2.41 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.536 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.1 m-80 -54.28 155.55 3.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.479 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.51 -50.0 73.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -172.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.86 -19.49 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.357 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 30.5 mm -67.85 -54.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 49' ' ' SER . 59.5 mt -65.45 -33.33 75.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.315 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -57.59 -48.92 78.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.681 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.61 79.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.5 -43.0 87.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.06 -41.08 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -61.03 -46.44 90.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.514 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.757 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.4 p -69.57 -29.79 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.924 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -63.41 -46.84 84.54 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 24' ' ' PRO . 89.6 mt -56.4 -43.36 79.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.594 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.51 -38.91 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.894 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.63 -31.92 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.428 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.544 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.143 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.58 HD13 HG12 ' A' ' 11' ' ' ILE . 94.7 mt -59.79 133.08 55.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.958 0.409 . . . . 0.0 111.464 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -91.18 152.46 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.646 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 33.7 m95 -71.19 -12.2 61.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.888 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -101.44 6.97 42.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.511 0.672 . . . . 0.0 110.334 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.44 64.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.372 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.409 ' O ' HG11 ' A' ' 60' ' ' VAL . 21.4 p -62.48 -38.32 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.907 -170.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.681 ' HA ' HG21 ' A' ' 60' ' ' VAL . 48.0 ttt85 -66.13 -47.73 73.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.294 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.58 HG12 HD13 ' A' ' 3' ' ' LEU . 60.1 mt -82.05 -40.1 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.964 0.412 . . . . 0.0 110.479 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.96 -44.86 95.9 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.88 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.17 -36.44 84.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.424 0.154 . . . . 0.0 110.911 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.49 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.385 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD11 ' SD ' ' A' ' 32' ' ' MET . 35.2 mt -65.58 -43.48 89.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.921 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -63.79 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.64 -41.86 65.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.166 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -125.6 77.39 69.39 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.0 -32.85 3.02 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.878 2.385 . . . . 0.0 112.429 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -89.95 -1.03 57.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.235 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 tt -102.22 118.1 36.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 13.3 m-20 -79.37 124.93 83.95 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HB3' ' CD2' ' A' ' 61' ' ' TRP . 19.3 Cg_endo -59.54 -17.21 40.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.15 2.566 . . . . 0.0 111.916 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.28 -34.22 76.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.333 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -91.3 7.77 39.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.613 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t -103.09 123.19 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.059 0.457 . . . . 0.0 110.69 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -93.53 172.54 8.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.845 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.91 -38.51 91.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.844 0.354 . . . . 0.0 110.819 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 20.8 p -63.09 -36.67 84.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.208 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.65 -53.62 13.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.052 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.417 ' SD ' HD11 ' A' ' 15' ' ' LEU . 8.5 tmm? -59.52 -39.23 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.184 -177.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HG ' ' A' ' 49' ' ' SER . 59.1 t-80 -54.59 -37.38 65.48 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 mm100 -78.08 -41.73 34.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.038 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 36.7 m0 -69.75 -39.15 76.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.292 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -73.42 -33.25 39.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 -179.697 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -70.16 -22.45 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 111.058 -177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.82 30.23 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.361 0.601 . . . . 0.0 110.59 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.656 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 58.7 mt -80.89 136.71 36.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.8 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.03 -32.22 73.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.08 -18.23 37.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.018 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.656 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 72.5 t80 -88.31 136.12 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -170.3 74.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.58 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -129.03 -81.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.128 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -145.1 98.46 4.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.96 -11.27 19.8 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.751 2.301 . . . . 0.0 113.512 -175.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -102.65 -23.44 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.55 -93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.46 ' HG ' ' CD2' ' A' ' 33' ' ' HIS . 11.4 p 43.83 63.31 1.63 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 37.8 m-80 -59.0 161.16 5.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.66 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.37 -50.3 62.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -55.36 -31.03 61.43 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 41.1 mm -68.54 -55.4 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.05 -36.38 81.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.593 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.7 tt0 -63.32 -46.19 87.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.31 81.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.872 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.24 -33.0 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.527 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.3 tm? -71.01 -40.31 71.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 94.2 mt -62.58 -41.73 99.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 9' ' ' ARG . 13.9 p -71.32 -31.77 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.425 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.444 ' CD2' ' HB3' ' A' ' 24' ' ' PRO . 5.7 t90 -64.71 -42.85 94.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.3 mt -60.79 -41.35 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.642 176.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.57 -37.44 82.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.017 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.08 -16.29 56.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.528 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 179.547 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.454 HD13 HG12 ' A' ' 11' ' ' ILE . 92.8 mt -76.01 134.66 40.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HG2' ' OD2' ' A' ' 7' ' ' ASP . 4.7 mmtm -95.98 173.31 7.5 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.508 ' HB3' HD12 ' A' ' 53' ' ' ILE . 52.8 m95 -74.76 -19.07 60.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.525 . . . . 0.0 110.387 174.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -80.31 -12.13 59.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.139 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.604 ' OD2' ' HG2' ' A' ' 4' ' ' LYS . 93.8 m-20 -86.22 52.4 2.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.288 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 60' ' ' VAL . 6.9 p -62.79 -29.4 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.597 -176.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -73.88 -55.02 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 109.841 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 32.6 mp0 -58.51 -39.88 81.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.802 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 HD13 ' A' ' 3' ' ' LEU . 50.2 mt -70.96 -42.95 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.508 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.86 -45.9 93.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.225 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HG2' ' OE2' ' A' ' 64' ' ' GLU . 42.8 mt-10 -65.67 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . -67.67 -39.45 84.49 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.178 0.513 . . . . 0.0 111.371 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.17 -39.9 75.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.776 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -72.39 -24.3 61.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.294 0.568 . . . . 0.0 109.8 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 8.8 t70 -66.02 -54.45 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.578 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.64 72.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.365 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -128.54 73.04 80.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.656 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 -38.42 3.57 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.347 2.031 . . . . 0.0 112.423 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.09 31.17 1.12 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tt -122.99 121.72 36.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 9.6 m-20 -78.71 118.56 73.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.501 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.68 ' HG2' HD23 ' A' ' 62' ' ' LEU . 24.0 Cg_endo -62.99 -10.85 21.97 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.987 2.458 . . . . 0.0 111.942 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -54.8 -46.07 74.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.588 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 p -92.19 9.46 33.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.051 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.09 114.03 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.329 . . . . 0.0 110.796 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -94.3 179.74 5.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.404 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.33 -43.72 98.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -172.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.6 m -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.126 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.8 -48.21 81.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.218 0.532 . . . . 0.0 110.335 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.497 ' HE1' ' HB ' ' A' ' 57' ' ' ILE . 14.1 ttp -61.31 -36.89 81.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.007 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.722 ' HA ' HG22 ' A' ' 36' ' ' ILE . 33.7 t-80 -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 30' ' ' THR . 31.6 mm-40 -60.65 -44.44 96.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.223 0.535 . . . . 0.0 110.181 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -84.43 -38.96 19.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.269 -174.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.722 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -71.22 -31.13 43.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.277 -176.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.8 t -72.97 -20.11 61.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 0.0 110.356 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.69 37.82 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.678 0.751 . . . . 0.0 110.166 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 60.4 mt -90.45 157.76 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.453 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.44 -29.55 24.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.733 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.06 -17.59 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.167 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.659 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 81.6 t80 -92.19 131.4 37.46 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.773 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -170.85 97.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.104 172.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.73 -76.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.864 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -145.7 104.53 4.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.154 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.57 -5.71 17.53 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.361 2.041 . . . . 0.0 113.766 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -104.61 -22.2 13.29 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m 54.74 63.74 2.04 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.799 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.587 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 75.1 m-20 -59.3 154.38 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.665 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.92 -47.94 81.38 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.57 -176.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -67.97 -24.73 65.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 0.0 111.013 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.587 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 17.9 mm -60.82 -57.06 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.684 172.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.38 -33.01 74.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.1 tt0 -57.47 -50.61 72.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.003 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' HE1' ' A' ' 32' ' ' MET . 66.5 mt -71.85 -38.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.292 0.568 . . . . 0.0 110.568 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.4 tm? -67.94 -39.6 83.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.845 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 72.1 mt -64.99 -40.88 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.744 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.508 HG13 ' HA3' ' A' ' 12' ' ' GLY . 8.7 p -71.52 -32.74 47.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -64.85 -42.64 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.68 HD23 ' HG2' ' A' ' 24' ' ' PRO . 64.0 mt -54.44 -50.9 66.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.21 173.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.55 -31.43 56.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.541 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' HG2' ' A' ' 13' ' ' GLU . 51.0 mt-10 -86.0 -26.46 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.352 . . . . 0.0 111.523 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.58 139.27 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -105.61 154.11 20.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.213 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.54 ' HB3' HD12 ' A' ' 53' ' ' ILE . 21.3 m95 -56.79 -31.45 64.68 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.365 . . . . 0.0 111.374 178.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -65.38 -27.64 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.21 60.56 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.462 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' HG11 ' A' ' 60' ' ' VAL . 6.5 p -59.96 -36.01 76.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.039 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.721 ' HA ' HG21 ' A' ' 60' ' ' VAL . 40.6 ttt85 -67.91 -49.37 62.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.351 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.13 -31.71 72.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 82.8 mt -73.78 -42.69 54.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.293 176.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.657 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.3 -42.19 97.22 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.95 -39.29 93.26 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.08 86.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 110.73 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 40.3 mt -65.15 -37.86 88.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.928 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -75.84 -39.11 57.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.354 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.77 -44.81 80.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.06 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.88 -26.1 31.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 64.7 m-85 -131.61 66.24 77.75 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 120.456 0.17 . . . . 0.0 111.223 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.79 -22.34 17.81 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.787 1.658 . . . . 0.0 111.355 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.92 19.32 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.712 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 1.4 tt -122.73 112.85 18.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.13 123.47 82.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.738 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.587 ' HB2' HD23 ' A' ' 62' ' ' LEU . 74.2 Cg_endo -76.3 -10.06 19.07 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 113.417 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -82.7 -28.59 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -90.21 14.35 12.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -106.3 120.16 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.66 173.55 7.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.37 -41.34 89.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.748 0.309 . . . . 0.0 110.617 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.8 -39.27 93.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.221 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.61 -49.89 60.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.377 0.608 . . . . 0.0 109.814 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ttp -63.6 -34.5 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.216 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 37.8 t-80 -61.0 -26.22 67.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.217 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.23 -60.54 2.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.126 0.489 . . . . 0.0 110.133 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -63.08 -36.64 84.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.338 -175.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.89 -30.58 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.488 -177.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 39.8 t -68.22 -40.08 82.18 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.524 0.202 . . . . 0.0 110.843 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -109.9 29.71 7.37 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.499 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.683 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 32.3 mt -56.49 139.95 47.66 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.19 -26.13 64.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.514 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -111.17 -4.9 14.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.683 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 86.5 t80 -90.5 137.22 32.53 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.794 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -170.07 86.5 0.13 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.039 -179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -136.53 -88.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.475 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -145.35 112.85 4.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.26 -1.38 11.5 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.232 1.954 . . . . 0.0 114.023 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -113.09 -37.0 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.386 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.21 34.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.498 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 7.1 p -82.33 52.6 2.07 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -58.75 166.56 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.054 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.65 -41.51 81.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -68.26 -27.66 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' A' ' 5' ' ' TRP . 24.0 mm -68.75 -55.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.418 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.67 -33.84 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.311 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.3 tt0 -61.61 -44.82 96.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.794 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.74 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 111.015 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.91 -38.46 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.5 tm? -64.88 -42.99 94.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -60.71 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.472 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' A' ' 9' ' ' ARG . 12.6 p -65.87 -33.38 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.755 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -63.47 -42.6 98.6 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.587 HD23 ' HB2' ' A' ' 24' ' ' PRO . 95.7 mt -57.02 -54.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.252 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.09 -34.16 77.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.941 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -77.39 -33.97 55.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.694 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.26 132.51 39.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.514 ' HB2' ' OD2' ' A' ' 7' ' ' ASP . 31.9 mmtm -90.03 157.31 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.282 172.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -70.16 -16.48 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.501 . . . . 0.0 110.493 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -76.72 -19.68 57.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.393 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.514 ' OD2' ' HB2' ' A' ' 4' ' ' LYS . 58.1 m-20 -86.08 63.56 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.272 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -53.7 -44.82 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 32.5 ttt180 -70.45 -47.91 58.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.511 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.77 -23.67 67.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.963 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.565 HG21 HD13 ' A' ' 57' ' ' ILE . 77.4 mt -77.09 -43.5 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.61 96.75 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.895 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 69.8 mt-10 -58.47 -41.49 85.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.61 99.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.5 -38.66 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -69.73 -36.87 76.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.752 0.31 . . . . 0.0 110.51 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.11 -38.79 92.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.139 0.495 . . . . 0.0 110.68 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.97 -40.99 26.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.419 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 56.6 m-85 -127.78 75.91 77.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.295 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.75 -28.07 3.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.271 1.981 . . . . 0.0 112.387 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -90.72 -6.05 54.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -92.59 114.27 26.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.767 -177.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' THR . 25.5 m-20 -64.73 119.65 59.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.559 ' HG2' HD23 ' A' ' 62' ' ' LEU . 19.3 Cg_endo -60.3 -15.07 32.87 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.018 2.479 . . . . 0.0 112.598 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.2 -38.76 88.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' ASP . 14.9 t -91.14 5.66 48.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.058 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.41 110.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -84.18 165.72 18.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.235 -0.438 . . . . 0.0 109.949 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -59.9 -34.85 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 110.42 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 1.7 p -62.64 -53.0 61.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.102 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.84 -49.19 78.68 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 109.968 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -59.58 -41.18 89.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.652 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.637 ' HA ' HG22 ' A' ' 36' ' ' ILE . 41.5 t-80 -65.48 -35.09 79.87 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.751 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 30' ' ' THR . 15.8 mm100 -60.96 -49.37 77.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.901 0.382 . . . . 0.0 110.543 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -73.77 -41.4 62.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.961 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.704 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.3 -32.08 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.745 -176.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 54.0 t -74.57 -18.23 60.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.399 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -111.09 25.48 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.491 0.662 . . . . 0.0 110.069 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.704 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 38.8 mt -80.38 144.57 32.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.541 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.22 -33.22 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.533 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.95 -18.91 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.317 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 70.7 t80 -79.23 128.94 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.919 0.39 . . . . 0.0 110.67 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -169.98 94.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -158.97 -76.29 0.07 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.2 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 9.0 t70 -145.9 113.44 4.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.041 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 3.0 Cg_endo -78.29 -24.33 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.79 2.327 . . . . 0.0 112.765 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -84.97 -36.83 21.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.68 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.6 87.0 6.29 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.249 0.547 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -127.98 61.22 1.44 Allowed 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.535 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.7 t30 -48.2 141.18 6.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.559 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -48.48 -51.38 27.45 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 52' ' ' LYS . 18.1 ptpt -61.24 -21.48 63.93 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 19.8 mm -66.97 -56.19 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.472 0.653 . . . . 0.0 109.572 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.07 -30.81 70.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.742 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 35.7 tt0 -58.48 -47.84 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.782 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.41 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.565 HD13 HG21 ' A' ' 11' ' ' ILE . 64.7 mt -69.9 -37.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.64 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.0 tm? -68.33 -38.46 81.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.5 mt -62.47 -46.8 86.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.571 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 9' ' ' ARG . 13.7 p -64.25 -36.23 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -62.29 -42.62 99.51 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 24' ' ' PRO . 98.3 mt -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.52 -37.86 74.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.434 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -77.87 -42.31 33.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.211 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.467 -177.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.55 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 88.3 mt -68.43 115.28 7.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.825 0.821 . . . . 0.0 109.326 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -96.54 164.93 12.4 Favored 'General case' 0 N--CA 1.417 -2.124 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.47 -173.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.476 ' CE3' HG21 ' A' ' 53' ' ' ILE . 25.6 m95 -75.38 53.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.909 0.861 . . . . 0.0 109.823 173.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -146.67 -35.76 0.25 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.641 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 4.4 m-20 -78.81 51.91 1.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.531 ' O ' HG11 ' A' ' 60' ' ' VAL . 13.7 p -59.25 -36.29 75.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.626 HH11 HG23 ' A' ' 60' ' ' VAL . 24.7 tpp180 -76.11 -38.47 56.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.195 0.522 . . . . 0.0 109.706 -177.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 10.8 mm-40 -67.75 -44.29 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.259 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.481 HG12 HD13 ' A' ' 3' ' ' LEU . 77.1 mt -67.84 -29.89 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -60.73 -37.08 92.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.46 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.31 -34.16 75.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.1 86.98 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.339 0.59 . . . . 0.0 110.622 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.17 -45.04 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.871 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.92 -38.53 83.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.794 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.05 -45.06 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.511 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.85 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -128.84 78.23 76.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.532 0.206 . . . . 0.0 110.695 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.97 -29.94 3.94 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.375 2.05 . . . . 0.0 112.907 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.33 2.76 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -99.29 134.14 42.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.732 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.6 m-20 -71.92 114.21 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HG2' HD23 ' A' ' 62' ' ' LEU . 30.1 Cg_endo -65.21 -18.42 61.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.548 2.165 . . . . 0.0 110.955 174.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.62 -36.78 68.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.5 m -80.25 -24.85 39.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.475 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 23' ' ' ASP . 85.8 t -70.11 126.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.19 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -98.08 174.24 6.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -62.31 -39.19 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.7 m -62.83 -44.4 96.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.103 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -62.13 -56.28 20.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.527 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 36' ' ' ILE . 13.3 tmm? -59.56 -40.03 85.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.656 -176.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.515 ' HA ' HG22 ' A' ' 36' ' ' ILE . 28.9 t-80 -60.55 -33.07 72.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -67.47 -40.58 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -79.0 -42.51 26.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.188 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -64.66 -31.28 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.029 0.442 . . . . 0.0 109.905 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.63 -30.98 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.125 0.488 . . . . 0.0 110.157 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.53 35.57 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.303 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.644 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 72.0 mt -86.62 136.11 33.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.3 pm0 -75.48 -22.47 57.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.63 -11.28 29.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.468 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.644 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 t80 -81.38 134.31 35.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.95 98.49 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.26 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -161.6 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.446 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -145.72 98.98 4.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.945 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.99 -15.04 26.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.498 2.132 . . . . 0.0 113.135 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -91.59 -31.89 15.72 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.527 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.12 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.77 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB3' HD21 ' A' ' 54' ' ' LEU . 6.2 m 50.12 64.42 1.8 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.681 0.613 . . . . 0.0 111.611 176.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.846 ' HB2' HG12 ' A' ' 53' ' ' ILE . 1.8 m-20 -50.35 148.93 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.589 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.41 -35.57 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -56.72 -41.01 76.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.307 0.575 . . . . 0.0 109.921 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.846 HG12 ' HB2' ' A' ' 50' ' ' ASN . 13.2 mm -64.92 -55.99 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.127 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 49' ' ' SER . 89.6 mt -59.9 -38.3 81.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.494 -175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.0 tt0 -66.39 -42.03 88.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.304 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.28 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.973 0.416 . . . . 0.0 110.627 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 53' ' ' ILE . 63.8 mt -72.33 -29.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.399 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -73.67 -38.38 64.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.521 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 86.0 mt -63.4 -43.93 96.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.074 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.626 HG23 HH11 ' A' ' 9' ' ' ARG . 2.4 p -65.75 -34.31 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.532 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 5.5 t90 -64.36 -39.01 93.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.542 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.8 mt -61.81 -41.66 98.03 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.846 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -55.44 -46.31 76.76 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.362 . . . . 0.0 111.653 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.19 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.817 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.837 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 41' ' ' ASP . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 112.567 -0.213 . . . . 0.0 112.567 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.2 105.59 7.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HE3' ' OD2' ' A' ' 44' ' ' ASP . 29.9 mmtp -77.91 146.95 35.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.44 ' HB3' HG23 ' A' ' 53' ' ' ILE . 98.1 m95 -64.06 -22.39 66.91 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.947 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -67.18 -26.56 66.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.332 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 27.1 m-20 -87.79 62.27 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 109.923 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -58.17 -35.64 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.007 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -73.05 -41.9 63.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 7' ' ' ASP . 5.2 mm-40 -61.26 -34.58 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.719 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 68.9 mt -82.7 -38.74 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.541 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.93 -45.01 94.2 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.292 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -71.78 -28.9 63.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.551 0.215 . . . . 0.0 110.616 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.54 99.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.279 0.562 . . . . 0.0 110.318 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 46.6 mt -67.07 -34.21 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.507 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.51 -34.41 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.416 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -67.88 -48.66 65.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.466 177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.45 69.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.687 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -123.89 75.67 57.38 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.11 -15.03 13.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.264 1.976 . . . . 0.0 111.502 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -90.41 -13.9 34.0 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.777 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.55 137.55 33.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.114 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 27' ' ' VAL . 10.9 m-20 -79.61 119.83 78.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.962 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HG3' ' HB3' ' A' ' 65' ' ' ALA . 39.5 Cg_endo -67.33 -18.16 49.89 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.046 1.831 . . . . 0.0 111.223 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG2' HD22 ' A' ' 62' ' ' LEU . 54.6 mtmt -84.27 -18.28 36.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.76 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 23' ' ' ASP . 18.7 p -91.18 -22.92 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 174.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 23' ' ' ASP . 67.5 t -72.79 132.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.618 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.536 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 1.6 mmp_? -101.47 168.68 9.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 173.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 42.6 m-85 -59.44 -44.3 92.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -174.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -58.12 -42.54 86.01 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.516 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -64.46 -48.37 75.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.128 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -59.3 -38.23 79.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.412 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' HA ' HG22 ' A' ' 36' ' ' ILE . 45.0 t60 -60.44 -24.02 64.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.95 -39.41 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.301 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -80.65 -44.15 19.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.768 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.36 -31.98 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -176.16 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.19 -20.77 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.83 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.65 26.7 10.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.502 0.668 . . . . 0.0 110.377 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 77.9 mt -81.74 138.6 35.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.556 ' O ' ' HA3' ' A' ' 2' ' ' GLY . 13.4 m-20 -84.51 -18.67 35.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.717 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -81.5 120.71 25.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.053 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.65 57.47 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.587 ' OD2' ' HE3' ' A' ' 4' ' ' LYS . 4.3 m-20 -137.02 -91.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -169.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -120.55 84.55 36.5 Favored Pre-proline 0 C--O 1.222 -0.349 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.803 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.45 -2.18 12.36 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 121.812 1.675 . . . . 0.0 111.718 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -84.25 -18.27 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.988 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 129.17 48.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.083 0.468 . . . . 0.0 111.568 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -157.77 55.92 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.763 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.556 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 45.7 t30 -57.3 153.56 12.01 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.695 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.98 -50.87 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.516 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -64.54 -26.02 68.24 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.556 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.59 -53.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 171.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.4 mt -66.56 -34.73 78.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.377 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 33.6 tt0 -62.56 -42.91 99.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.317 -177.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.12 84.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.151 0.5 . . . . 0.0 110.759 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.26 -33.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.477 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -72.34 -41.73 66.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.974 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -60.54 -44.27 96.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.831 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -68.05 -34.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.179 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -63.94 -39.6 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.4 mt -58.58 -49.72 76.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.56 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -74.56 -30.61 61.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -173.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.671 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.719 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.327 -0.402 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 43' ' ' ASP . . . . . . . . 0 N--CA 1.441 -0.973 0 N-CA-C 112.817 -0.113 . . . . 0.0 112.817 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 90.3 mt -70.8 103.75 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.688 0.28 . . . . 0.0 110.295 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.09 151.91 18.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.444 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 81.4 m95 -66.06 -14.01 60.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -74.23 -21.94 59.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.121 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -102.12 60.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.477 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 p -61.59 -30.95 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -74.47 -40.03 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 0.0 110.396 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.6 -37.84 87.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.269 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.628 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.64 -48.22 85.89 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.69 -33.7 76.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.649 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.67 72.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.44 -34.12 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.9 -45.54 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.715 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.41 -35.84 81.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.616 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.97 -46.78 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.703 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -131.28 79.32 70.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.678 0.275 . . . . 0.0 111.575 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -80.56 -27.09 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.78 2.32 . . . . 0.0 111.67 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.92 -22.53 45.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.049 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.95 123.01 32.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.671 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 m-20 -68.19 120.34 73.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.353 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.66 -19.72 61.87 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.824 2.349 . . . . 0.0 111.749 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -67.2 -38.64 85.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.436 0.636 . . . . 0.0 109.9 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -80.84 -19.37 44.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.045 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 32' ' ' MET . 25.0 t -74.68 115.6 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.636 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -91.09 158.83 16.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -58.33 -40.72 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 118.236 0.471 . . . . 0.0 111.429 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -67.28 -44.17 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.11 -41.35 95.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.335 0.588 . . . . 0.0 110.18 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.529 ' HB2' HG12 ' A' ' 27' ' ' VAL . 22.6 ttt -57.78 -42.0 83.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.382 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 -36.73 82.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.414 0.626 . . . . 0.0 110.814 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 8.6 m0 -86.89 -47.67 8.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.82 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.597 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -70.69 -30.12 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.629 0.252 . . . . 0.0 111.285 -174.17 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -79.72 -12.2 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.81 -0.556 . . . . 0.0 110.377 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.27 17.16 16.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.462 0.649 . . . . 0.0 110.269 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.747 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 80.6 mt -63.75 144.13 57.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.303 0.573 . . . . 0.0 110.467 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.41 -28.65 68.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.074 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -114.49 3.75 15.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.747 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 82.9 t80 -61.13 134.37 56.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.974 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.515 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . 22.0 t70 -161.75 94.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.579 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -163.49 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.483 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -147.84 116.21 4.15 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 117.81 0.277 . . . . 0.0 110.537 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.31 -9.59 25.73 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.939 2.426 . . . . 0.0 113.911 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -101.72 -35.88 8.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.45 28.47 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 2.6 p -78.73 62.19 3.19 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.151 0.5 . . . . 0.0 109.784 174.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.561 ' HB2' HG12 ' A' ' 53' ' ' ILE . 85.9 m-20 -54.79 158.81 2.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.023 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 13.1 mp0 -58.67 -53.2 61.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.889 -174.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 55' ' ' GLU . 19.5 pttm -67.09 -18.5 65.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.504 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 50' ' ' ASN . 26.9 mm -65.87 -59.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.67 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 tt0 -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.782 178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.71 83.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.4 . . . . 0.0 110.935 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 53' ' ' ILE . 63.8 mt -71.99 -37.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -65.59 -40.51 92.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.3 mt -62.24 -41.41 98.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.781 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.7 p -75.82 -30.31 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.209 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.2 mt -54.75 -51.0 67.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.028 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.77 -30.81 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.706 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -83.83 -34.96 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 0.0 111.425 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -173.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.738 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.93 100.63 4.17 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 63.5 mmtt -72.09 158.14 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.743 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 67.1 m95 -60.76 -27.53 68.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 111.265 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.2 m -69.97 -22.68 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 11' ' ' ILE . 73.8 m-20 -85.33 45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -52.87 -38.12 61.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.535 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -67.3 -44.44 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.412 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 7' ' ' ASP . 68.0 mt -70.51 -37.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.67 -40.87 95.36 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.597 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.36 -47.94 80.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.63 76.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.455 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD11 ' SD ' ' A' ' 32' ' ' MET . 20.6 mt -63.49 -42.21 98.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.432 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -69.87 -37.75 76.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.37 . . . . 0.0 111.171 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.77 -44.08 57.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.998 0.427 . . . . 0.0 110.981 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 -29.92 35.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.733 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.52 74.55 74.32 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.819 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.55 -23.34 7.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.687 2.258 . . . . 0.0 112.671 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.15 -4.37 57.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.573 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.35 107.11 19.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.026 0.441 . . . . 0.0 110.66 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.1 t70 -67.83 123.1 86.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.781 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.554 ' HG2' HD23 ' A' ' 62' ' ' LEU . 23.5 Cg_endo -61.71 -19.88 66.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.163 2.576 . . . . 0.0 113.261 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 59.7 mttm -72.24 -45.96 58.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.817 0.341 . . . . 0.0 110.118 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 23' ' ' ASP . 12.2 t -77.8 -17.95 56.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 23' ' ' ASP . 69.8 t -76.09 121.97 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 176.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -91.22 163.95 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.242 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HE1' ' HA ' ' A' ' 55' ' ' GLU . 79.3 m-85 -59.34 -42.39 91.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.029 0.443 . . . . 0.0 110.172 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 6.1 m -61.57 -30.69 70.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.531 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.23 -44.85 14.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' HD11 ' A' ' 15' ' ' LEU . 14.0 tmm? -59.75 -38.19 81.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' HA ' HG22 ' A' ' 36' ' ' ILE . 48.4 t-80 -57.98 -30.9 66.4 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 30' ' ' THR . 73.1 mt-30 -68.67 -51.84 37.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.142 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.6 -38.5 67.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.196 -175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -67.17 -31.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.532 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.98 -21.15 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.281 0.562 . . . . 0.0 110.026 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.52 -7.59 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 69.6 mt -68.35 131.01 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.303 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -81.52 -15.3 55.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.95 -18.02 41.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.135 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -78.22 140.51 38.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.063 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -167.2 94.47 0.46 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.385 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.467 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 2.3 p30 -161.16 -89.77 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.221 170.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 5.9 m-20 -144.24 96.83 5.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.869 0.366 . . . . 0.0 111.298 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 45' ' ' ASP . 37.3 Cg_endo -66.24 -14.94 46.48 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 111.683 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -80.42 -14.98 57.86 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.92 -95.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.4 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.743 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 13.9 p 43.55 63.66 1.48 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.766 0.667 . . . . 0.0 112.622 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.462 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 90.0 m-20 -59.74 150.67 27.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.277 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.67 -33.54 72.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.876 -178.557 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 28.0 mtpp -61.73 -34.72 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.206 176.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.631 HG21 ' HB3' ' A' ' 5' ' ' TRP . 25.9 mm -66.01 -52.21 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.734 175.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 51' ' ' GLU . 39.7 mt -59.31 -35.92 74.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.307 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 tt0 -63.23 -46.33 87.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.877 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.85 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.994 0.426 . . . . 0.0 110.814 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.01 -37.11 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.1 tm? -70.76 -40.32 72.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.785 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.8 mt -61.36 -44.88 96.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.589 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.09 -31.32 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 24' ' ' PRO . 82.5 mt -57.88 -39.82 78.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.749 175.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.61 -47.36 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.744 -176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.73 -42.89 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.393 . . . . 0.0 111.444 -176.518 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.633 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 97.1 mt -59.92 125.68 24.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.0 111.345 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 146.6 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.616 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 53' ' ' ILE . 39.2 m95 -62.12 -29.48 70.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.15 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -66.1 -24.61 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.487 0.66 . . . . 0.0 110.099 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 11' ' ' ILE . 4.9 m-20 -99.6 50.36 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.704 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -60.91 -22.93 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -63.26 -45.51 91.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.82 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 7' ' ' ASP . 23.9 mm-40 -72.61 -32.97 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.961 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 7' ' ' ASP . 75.2 mt -67.83 -37.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.59 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.57 -45.82 94.99 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 173.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.11 -34.79 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.734 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.9 74.33 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.26 -38.94 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -70.33 -24.98 63.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.634 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.43 -46.13 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.6 -28.27 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 82.8 m-85 -130.43 78.0 75.0 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 -36.63 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.853 2.368 . . . . 0.0 112.74 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.51 -2.65 57.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 58.4 tp -90.32 118.47 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.286 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.412 ' OD2' HG22 ' A' ' 26' ' ' THR . 5.6 p-10 -76.65 138.91 66.57 Favored Pre-proline 0 N--CA 1.44 -0.949 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.529 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.62 ' HG2' HD23 ' A' ' 62' ' ' LEU . 98.2 Cg_endo -81.47 4.84 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.726 2.284 . . . . 0.0 111.716 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -77.6 -38.53 48.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.481 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.412 HG22 ' OD2' ' A' ' 23' ' ' ASP . 7.1 t -82.29 -16.94 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.101 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.08 131.12 35.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 111.535 -174.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -102.37 171.77 7.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.505 174.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.78 -48.38 79.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.724 0.297 . . . . 0.0 110.963 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 t -67.68 -33.44 74.94 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.19 -43.95 73.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.008 0.433 . . . . 0.0 110.343 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.32 -36.05 82.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.581 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' HG22 ' A' ' 36' ' ' ILE . 64.8 t-80 -60.53 -35.72 76.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.48 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -56.62 -59.72 4.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 0.0 110.098 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.094 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.585 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.39 -27.69 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.52 -44.61 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.216 -0.303 . . . . 0.0 111.318 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.63 19.07 14.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.585 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 60.8 mt -58.01 134.94 56.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.103 173.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.25 -29.75 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.13 -1.85 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.433 -175.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.513 ' CB ' ' HB2' ' A' ' 39' ' ' LEU . 62.2 t80 -81.03 114.87 20.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.807 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.14 97.17 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.166 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -164.04 -96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -145.4 94.66 5.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.24 -11.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.01 2.473 . . . . 0.0 112.505 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -83.06 -35.33 25.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.529 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.55 38.98 0.81 Allowed 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.409 ' HB3' HD21 ' A' ' 54' ' ' LEU . 14.6 m -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.586 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.5 m-20 -55.43 157.33 3.86 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.85 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.09 -53.74 54.98 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -60.32 -29.93 69.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.989 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.8 mm -58.97 -56.45 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.489 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 49' ' ' SER . 86.6 mt -69.72 -33.08 72.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.178 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 37.6 tt0 -63.31 -39.43 94.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.331 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.594 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.83 -36.22 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.368 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 tm? -69.35 -42.15 75.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.758 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.0 mt -62.49 -37.29 85.41 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.108 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.416 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.2 p -75.27 -35.44 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -66.8 -36.16 81.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.62 HD23 ' HG2' ' A' ' 24' ' ' PRO . 87.4 mt -55.49 -33.87 64.09 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.558 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.18 -43.1 18.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.656 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.83 -44.3 61.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -175.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 110.509 179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.585 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 94.0 mt -60.44 124.88 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.604 0.702 . . . . 0.0 109.864 174.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -106.23 167.82 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.997 -177.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HB3' HD12 ' A' ' 53' ' ' ILE . 19.7 m95 -78.84 66.88 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.767 0.794 . . . . 0.0 109.61 176.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 4' ' ' LYS . 11.2 t -169.71 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.101 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 14.2 m-20 -81.24 45.49 0.85 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.943 173.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -55.24 -38.11 68.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HG3' HG21 ' A' ' 60' ' ' VAL . 9.5 ttm180 -76.44 -35.58 58.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 -178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 5.2 mm-40 -67.35 -36.75 82.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.379 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.418 HG21 HG13 ' A' ' 36' ' ' ILE . 84.1 mt -71.39 -37.08 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.029 175.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.62 -51.57 51.38 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.777 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.61 -40.18 74.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.576 0.227 . . . . 0.0 110.904 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.83 78.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.4 -39.26 68.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.5 -36.72 84.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.212 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.39 -46.64 19.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.488 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.98 64.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.335 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -130.42 68.78 81.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.987 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.75 -18.01 19.75 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.275 1.984 . . . . 0.0 111.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.61 -2.83 58.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.969 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HG ' ' CH2' ' A' ' 35' ' ' TRP . 3.3 mm? -94.82 129.9 41.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.3 m-20 -84.92 114.02 53.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HG2' HD23 ' A' ' 62' ' ' LEU . 17.8 Cg_endo -59.97 -17.58 45.29 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.811 2.341 . . . . 0.0 112.21 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -65.56 -48.22 73.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 p -87.85 -23.2 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.909 -175.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 23' ' ' ASP . 93.4 t -62.89 117.52 3.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 28' ' ' ARG . 24.1 mtt180 -87.97 160.61 17.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.619 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.65 -39.54 80.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.885 0.311 . . . . 0.0 111.125 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.9 p -61.67 -44.21 97.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.597 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.41 -35.98 68.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.186 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -65.89 -38.6 89.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.514 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.624 ' HA ' HG22 ' A' ' 36' ' ' ILE . 53.0 t-80 -63.64 -35.38 80.36 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.587 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.94 -53.09 60.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.284 0.564 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.44 ' CH2' ' HG ' ' A' ' 22' ' ' LEU . 15.4 m0 -68.31 -50.41 53.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.139 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.624 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -65.49 -34.51 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.65 -175.119 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 t -78.4 -16.88 57.15 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.008 -0.433 . . . . 0.0 110.166 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.69 -17.45 31.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.299 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.7 mt -58.19 128.24 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.775 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -81.74 -15.45 54.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.847 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -79.34 -18.71 51.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 109.182 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 36.0 t80 -87.74 129.0 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.18 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -160.65 108.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.712 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 19.1 t70 -163.11 -84.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.831 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -147.22 113.52 4.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 1.65 7.56 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.976 2.451 . . . . 0.0 113.654 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -110.06 -36.15 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.836 0.309 . . . . 0.0 111.836 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.44 34.91 0.53 Allowed 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 2.1 p -80.14 64.16 4.88 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.54 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 77.4 m-20 -48.89 150.98 1.32 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.978 177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -41.38 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.985 -176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -63.68 -33.34 75.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.025 0.441 . . . . 0.0 110.583 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.7 mm -61.55 -54.39 35.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.073 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.01 -35.71 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.43 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.5 tt0 -61.64 -42.99 99.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.19 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 110.909 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.93 -33.66 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.299 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.8 tm? -74.15 -39.6 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.758 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 93.4 mt -60.13 -45.82 91.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.684 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.442 HG21 ' HG3' ' A' ' 9' ' ' ARG . 11.7 p -65.57 -35.45 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.365 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -64.15 -44.21 92.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' HG2' ' A' ' 24' ' ' PRO . 86.8 mt -56.6 -39.54 73.74 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.104 0.478 . . . . 0.0 110.968 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.41 -43.53 55.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.745 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 20.2 mt-10 -77.0 -31.94 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.693 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.334 -178.534 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttt . . . . . 0 N--CA 1.48 1.056 0 CA-C-O 120.886 0.374 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' A' ' 43' ' ' ASP . . . -120.08 -152.74 9.04 Favored Glycine 0 CA--C 1.506 -0.472 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 178.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' HB3' HG12 ' A' ' 11' ' ' ILE . 70.9 mt -59.97 121.68 12.41 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.008 0.433 . . . . 0.0 110.242 174.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -100.65 146.1 27.6 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.522 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.536 ' HB3' HD12 ' A' ' 53' ' ' ILE . 14.2 m95 -56.95 -46.33 82.18 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.2 m -62.89 -28.71 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.246 0.546 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -86.34 57.85 4.73 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.714 0.769 . . . . 0.0 109.787 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.6 p -66.45 -27.96 68.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.469 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.517 ' HA ' HG21 ' A' ' 60' ' ' VAL . 31.3 ttm180 -68.41 -46.57 69.57 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.564 -176.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.91 -34.71 73.57 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.245 0.545 . . . . 0.0 109.742 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 3' ' ' LEU . 67.7 mt -72.71 -42.73 62.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.62 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.674 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.16 -44.97 94.59 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.649 -0.58 . . . . 0.0 111.649 177.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -65.34 -38.39 89.98 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.95 91.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.996 0.426 . . . . 0.0 110.931 176.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD11 ' SD ' ' A' ' 32' ' ' MET . 18.9 mt -67.93 -42.51 80.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.214 -178.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.443 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 35.1 t80 -72.03 -30.18 64.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.116 0.484 . . . . 0.0 110.624 178.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.01 -48.27 71.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.014 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.93 -30.19 28.57 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.548 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.872 ' HB3' HD13 ' A' ' 22' ' ' LEU . 89.8 m-85 -128.8 66.13 74.6 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.778 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -78.38 -9.28 16.27 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.177 1.918 . . . . 0.0 111.128 175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -84.57 -16.48 42.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.49 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.872 HD13 ' HB3' ' A' ' 19' ' ' TYR . 7.3 mp -97.51 141.72 30.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.125 -175.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.477 ' O ' HG23 ' A' ' 27' ' ' VAL . 12.8 t70 -93.14 118.72 67.85 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.47 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.65 ' HG2' HD23 ' A' ' 62' ' ' LEU . 36.7 Cg_endo -65.99 -7.77 17.97 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.184 2.589 . . . . 0.0 113.868 -176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -81.39 -38.16 27.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 177.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -79.51 -14.61 58.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.362 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 23' ' ' ASP . 96.4 t -83.69 119.3 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.513 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -93.18 175.57 6.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.95 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 23.1 m-85 -62.58 -42.02 99.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.943 0.402 . . . . 0.0 110.427 -177.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.529 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 4.0 m -55.77 -54.08 48.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.123 178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.18 -44.0 97.99 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.345 -176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.462 ' SD ' HD11 ' A' ' 15' ' ' LEU . 13.6 tmm? -63.46 -43.23 97.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.33 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.626 ' HA ' HG22 ' A' ' 36' ' ' ILE . 30.8 t-80 -62.96 -28.94 70.43 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.994 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 30' ' ' THR . 27.7 mt-30 -65.65 -47.35 75.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.147 0.499 . . . . 0.0 109.897 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.0 m0 -76.59 -40.8 48.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.765 -176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.626 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -66.01 -33.04 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-O 120.755 0.312 . . . . 0.0 110.682 -179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.6 t -81.09 -17.51 49.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.235 0.54 . . . . 0.0 109.918 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.087 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.532 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.4 mt -57.18 129.68 42.84 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.144 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -70.19 -27.98 64.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.206 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -83.19 -18.56 38.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -64.33 127.8 33.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.901 0.382 . . . . 0.0 110.89 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.489 ' HB3' ' HA3' ' A' ' 2' ' ' GLY . 24.5 t70 -161.67 94.63 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.419 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -154.87 -90.09 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.336 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -147.72 111.91 3.92 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.717 0.294 . . . . 0.0 110.213 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.05 -18.28 61.45 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.799 2.333 . . . . 0.0 113.821 -175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -103.08 -35.65 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.771 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.8 50.56 0.71 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.291 0.567 . . . . 0.0 111.806 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.442 ' HB3' HD21 ' A' ' 54' ' ' LEU . 13.1 m -93.37 66.59 3.97 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 176.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.548 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 22.6 m-20 -49.16 151.89 1.27 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.722 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.69 -51.55 65.18 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 121.021 -0.272 . . . . 0.0 111.467 -177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 52' ' ' LYS . 71.8 mmtt -65.12 -24.16 67.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.307 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.548 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 23.4 mm -62.45 -53.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 173.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.442 HD21 ' HB3' ' A' ' 49' ' ' SER . 84.8 mt -67.65 -34.67 77.42 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.504 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 34.3 tt0 -63.57 -44.68 93.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.811 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.29 84.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.151 0.501 . . . . 0.0 110.69 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.405 ' HA ' HG12 ' A' ' 60' ' ' VAL . 66.4 mt -69.78 -36.46 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.659 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -68.42 -43.7 76.59 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 ' HA ' HD12 ' A' ' 62' ' ' LEU . 84.1 mt -64.53 -39.08 93.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.577 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.674 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -72.94 -29.28 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.514 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -64.82 -44.05 91.12 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.65 HD23 ' HG2' ' A' ' 24' ' ' PRO . 68.7 mt -55.86 -44.1 77.75 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.325 174.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.04 -46.14 88.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.027 -177.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -72.96 -44.49 61.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.859 -177.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.443 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -63.15 -44.0 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -174.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.34 -0.838 . . . . 0.0 110.33 -179.547 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.9 ttp . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.29 -154.84 12.13 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.565 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.523 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 95.0 mt -62.18 127.11 29.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.785 0.326 . . . . 0.0 110.772 177.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.521 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 3.1 mmmp? -96.28 166.96 11.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.731 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.653 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 25.1 m95 -72.97 21.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.424 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.2 m -124.58 -13.05 7.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.232 0.539 . . . . 0.0 110.141 177.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 11' ' ' ILE . 11.6 m-20 -89.92 48.61 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.899 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.5 p -59.38 -34.24 72.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.384 -170.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.527 ' HA ' HG21 ' A' ' 60' ' ' VAL . 70.2 ttt-85 -63.57 -53.67 48.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.716 0.293 . . . . 0.0 110.707 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.35 -28.99 69.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.703 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 7' ' ' ASP . 76.4 mt -71.01 -40.28 75.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.019 0.438 . . . . 0.0 109.884 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.575 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -61.0 -43.57 99.28 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.906 176.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 45.0 mt-10 -61.94 -40.02 94.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 177.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.76 84.02 Favored 'General case' 0 CA--C 1.52 -0.187 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.841 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.456 HD11 ' SD ' ' A' ' 32' ' ' MET . 25.9 mt -64.96 -44.79 88.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.768 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -64.29 -40.01 95.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.253 179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -72.41 -40.29 67.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.465 -178.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.61 -33.65 60.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.32 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -131.82 75.61 75.6 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.745 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -74.14 -22.24 17.07 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.211 1.941 . . . . 0.0 112.172 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -84.65 -11.88 55.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.327 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 22' ' ' LEU . 34.1 mt -90.02 122.38 32.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.114 0.483 . . . . 0.0 111.0 -179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -91.74 123.26 63.88 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.69 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.634 ' HG2' HD23 ' A' ' 62' ' ' LEU . 22.3 Cg_endo -60.48 -13.71 26.68 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 123.648 2.898 . . . . 0.0 113.825 -175.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.8 mttp -68.15 -38.14 81.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.702 0.287 . . . . 0.0 110.49 178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.3 t -91.29 -16.2 27.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.991 0.424 . . . . 0.0 110.465 178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.494 ' HB ' ' HA ' ' A' ' 24' ' ' PRO . 85.2 t -76.61 109.74 11.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.103 0.477 . . . . 0.0 110.25 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -87.21 168.71 12.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.547 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -55.96 -45.41 78.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.612 0.244 . . . . 0.0 111.228 -177.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 25.1 m -60.61 -38.69 85.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -69.93 -49.37 52.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.661 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.456 ' SD ' HD11 ' A' ' 15' ' ' LEU . 11.0 tmm? -60.79 -43.34 98.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.14 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -55.3 -33.6 63.42 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.238 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.527 ' HA ' ' OE1' ' A' ' 34' ' ' GLN . 5.7 tp60 -71.79 -52.12 19.2 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.104 0.478 . . . . 0.0 110.599 -178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 12.9 m0 -70.12 -33.07 71.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.373 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -71.32 -30.71 41.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-O 121.287 0.565 . . . . 0.0 109.848 176.644 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.0 t -72.58 -24.84 61.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.332 0.586 . . . . 0.0 109.853 175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.39 20.43 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 -178.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 67.8 mt -90.37 133.07 35.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 175.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -79.74 -26.68 40.68 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.18 0.514 . . . . 0.0 109.85 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.35 -18.25 46.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.537 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.605 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 50.3 t80 -78.82 135.14 36.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.158 175.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -165.61 83.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.99 177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.521 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 60.2 t0 -135.01 -90.07 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -146.59 104.72 3.98 Favored Pre-proline 0 C--N 1.328 -0.352 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.558 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -75.63 -4.71 15.61 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 122.281 1.988 . . . . 0.0 112.277 177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -90.57 -28.55 18.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.197 -176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.96 -101.16 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.044 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.653 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 18.0 p 46.15 61.69 2.6 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.195 0.598 . . . . 0.0 112.038 -179.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -75.36 169.4 18.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.852 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -52.41 -46.69 66.41 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -172.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -57.3 -40.42 77.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.658 0.266 . . . . 0.0 111.26 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.8 mm -63.92 -49.35 82.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.241 0.543 . . . . 0.0 110.355 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -63.01 -37.11 85.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.627 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.2 tt0 -59.14 -48.15 82.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.659 178.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.79 74.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 69.5 mt -75.79 -36.5 33.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.209 0.528 . . . . 0.0 110.762 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.4 tm? -68.75 -38.29 80.01 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.643 -0.502 . . . . 0.0 109.643 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.0 mt -58.41 -48.96 78.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.904 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.575 HG13 ' HA3' ' A' ' 12' ' ' GLY . 14.9 p -68.01 -30.0 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -67.65 -37.44 82.42 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.3 mt -61.43 -31.08 71.01 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.911 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -73.64 -43.55 59.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.36 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.91 -50.53 14.76 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.52 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.99 58.48 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.228 0.537 . . . . 0.0 110.655 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--O 1.249 1.029 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.438 -178.072 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HE2' ' HE2' ' A' ' 4' ' ' LYS . 59.6 mtm . . . . . 0 N--CA 1.482 1.157 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.22 -150.9 5.44 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 78.0 mt -60.51 110.73 1.35 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.911 0.386 . . . . 0.0 110.051 174.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' HE2' ' HE2' ' A' ' 1' ' ' MET . 1.9 mmmp? -91.07 153.93 19.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.843 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -64.3 -20.65 66.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.954 -177.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 p -77.88 -24.47 48.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.138 0.494 . . . . 0.0 110.755 176.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -86.85 47.36 1.48 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.989 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.6 p -53.41 -38.41 63.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.386 -0.825 . . . . 0.0 112.179 -177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.6 ttt-85 -66.62 -48.23 70.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.58 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -60.65 -32.68 71.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.931 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.0 mt -74.96 -40.81 45.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.47 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.512 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.65 -37.79 84.87 Favored Glycine 0 N--CA 1.452 -0.294 0 CA-C-N 115.892 -0.594 . . . . 0.0 112.192 177.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -58.46 -43.8 88.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.575 0.226 . . . . 0.0 110.457 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.59 98.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.207 0.527 . . . . 0.0 110.94 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD11 ' SD ' ' A' ' 32' ' ' MET . 45.5 mt -64.79 -43.42 93.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.699 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -70.15 -30.81 68.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.993 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.22 -36.56 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.32 -38.69 18.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.38 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -126.9 75.38 76.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.707 -0.224 . . . . 0.0 110.825 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.78 -36.98 0.51 Allowed 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.664 2.243 . . . . 0.0 112.433 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -90.73 -0.42 57.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.259 -176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -89.51 130.98 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 -175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -65.12 112.33 7.99 Favored Pre-proline 0 N--CA 1.463 0.204 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.941 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' HB2' HD23 ' A' ' 62' ' ' LEU . 58.3 Cg_endo -73.67 -19.48 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.294 0 C-N-CA 122.659 2.24 . . . . 0.0 113.075 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -67.52 -42.04 83.4 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.094 0.473 . . . . 0.0 110.53 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.2 p -87.43 24.12 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.208 -176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.8 t -103.85 117.65 49.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.925 0.393 . . . . 0.0 110.151 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -76.64 157.04 32.17 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -58.34 -32.24 68.33 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.424 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 m -62.02 -46.08 90.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -60.42 -51.87 67.63 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.116 0.484 . . . . 0.0 110.225 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.425 ' SD ' HD11 ' A' ' 15' ' ' LEU . 10.1 tmm? -61.68 -44.69 96.47 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.848 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -54.55 -38.04 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -51.59 38.66 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.914 -176.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.4 m0 -67.2 -39.93 86.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.925 -177.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.686 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.05 -31.68 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.635 -178.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.9 t -69.19 -31.87 70.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 110.451 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.82 21.02 7.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.469 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.686 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 50.4 mt -77.62 129.15 35.23 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 173.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -70.33 -12.32 61.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.284 0.564 . . . . 0.0 110.283 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.02 -18.47 21.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.364 177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 47.4 t80 -79.39 136.49 36.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.41 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.541 ' OD2' ' HB3' ' A' ' 1' ' ' MET . 35.2 t70 -165.42 92.08 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.734 175.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -149.16 -97.35 0.07 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.136 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -146.19 111.45 4.37 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-O 120.662 0.268 . . . . 0.0 110.549 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -70.68 -24.94 24.88 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.002 2.468 . . . . 0.0 114.36 -175.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -99.39 -7.3 26.37 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.68 -53.46 18.51 Favored 'General case' 0 CA--C 1.511 -0.532 0 C-N-CA 120.991 -0.283 . . . . 0.0 110.796 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.429 ' HB3' HD21 ' A' ' 54' ' ' LEU . 5.3 m -21.43 81.86 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.441 0 O-C-N 125.596 1.81 . . . . 0.0 114.494 -168.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.547 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 42.4 m-80 -67.49 150.86 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.996 171.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 4.1 mp0 -55.38 -49.13 73.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.695 0.283 . . . . 0.0 110.666 -177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.7 pttp -67.27 -17.7 64.9 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.59 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.547 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 13.3 mm -70.73 -48.88 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.448 0.642 . . . . 0.0 109.302 171.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 49' ' ' SER . 57.1 mt -72.9 -20.26 61.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.328 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.7 tp10 -52.68 -53.59 45.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.278 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.74 -35.71 75.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.06 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mt -72.59 -30.82 35.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.363 0.601 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -77.56 -37.17 51.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.509 177.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.4 mt -62.37 -46.06 90.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.179 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG13 ' HA3' ' A' ' 12' ' ' GLY . 8.0 p -65.99 -32.09 56.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.271 178.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.7 t90 -62.33 -48.75 78.43 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD23 ' HB2' ' A' ' 24' ' ' PRO . 95.4 mt -55.9 -53.52 55.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.641 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -59.63 -32.3 70.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.76 -174.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -86.6 -47.01 9.57 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.98 -35.77 59.49 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -172.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.245 0.837 0 CA-C-O 118.554 -0.736 . . . . 0.0 110.752 -175.291 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttm . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.943 0.402 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.439 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . -121.47 -140.43 5.89 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 174.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 99.1 mt -64.02 126.28 27.19 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.674 0.273 . . . . 0.0 110.566 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' O ' HD11 ' A' ' 11' ' ' ILE . 61.2 mmtt -86.6 158.83 19.41 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 172.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.51 ' HB3' HG21 ' A' ' 53' ' ' ILE . 97.0 m95 -67.43 -21.33 65.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.344 0.592 . . . . 0.0 109.751 175.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -73.06 -21.06 60.85 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.284 175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 11' ' ' ILE . 67.8 m-20 -86.06 48.13 1.56 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.543 177.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.9 p -57.4 -30.17 64.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.928 -174.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' NH1' ' HB ' ' A' ' 60' ' ' VAL . 8.9 tpp180 -68.99 -50.59 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -68.69 -30.3 68.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.933 -176.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 7' ' ' ASP . 63.6 mt -68.47 -43.51 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -59.67 -40.91 97.1 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.549 175.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.35 -44.79 88.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.617 0.246 . . . . 0.0 110.511 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.94 83.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.338 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -69.15 -38.24 78.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 -177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -67.42 -36.24 80.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.928 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -73.78 -43.59 58.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.865 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.18 -34.48 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.614 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 75.6 m-85 -129.4 76.22 79.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.741 0.305 . . . . 0.0 110.64 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.74 -28.1 5.5 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.466 2.111 . . . . 0.0 113.098 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -90.91 -1.96 57.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.921 -177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 1.6 tt -89.58 120.35 30.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.806 -175.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.557 ' O ' HG22 ' A' ' 26' ' ' THR . 12.1 t70 -61.09 120.49 54.87 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.228 179.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.643 ' HG3' ' HB3' ' A' ' 65' ' ' ALA . 49.3 Cg_endo -68.49 -15.26 41.48 Favored 'Trans proline' 0 CA--C 1.53 0.294 0 C-N-CA 122.695 2.263 . . . . 0.0 113.178 -174.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -84.12 -24.22 30.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.769 0.319 . . . . 0.0 110.93 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.557 HG22 ' O ' ' A' ' 23' ' ' ASP . 8.0 t -88.09 -4.0 58.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.34 0.591 . . . . 0.0 110.343 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.5 t -90.49 114.9 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 72.1 mtt-85 -99.12 175.38 5.92 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -57.6 -49.29 76.89 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -170.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.8 m -68.8 -40.78 79.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.877 0.37 . . . . 0.0 110.979 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -60.69 -47.89 84.25 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.272 0.558 . . . . 0.0 110.242 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttp -63.15 -38.08 89.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.304 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.441 ' HA ' HG22 ' A' ' 36' ' ' ILE . 56.9 t-80 -62.46 -33.68 75.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.927 -178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -68.22 -43.71 77.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.152 -177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -70.87 -44.52 66.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -70.13 -29.54 40.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.14 -176.57 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 t -67.09 -32.45 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.745 0.307 . . . . 0.0 110.868 -178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -96.81 16.47 19.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.55 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.684 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 51.9 mt -76.62 135.3 39.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.833 0.349 . . . . 0.0 110.088 176.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -73.48 -28.02 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.59 -19.25 60.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.342 177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -90.12 126.13 35.68 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.83 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.439 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 25.7 t70 -152.85 81.72 1.22 Allowed 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.551 ' O ' ' HD3' ' A' ' 46' ' ' PRO . 15.3 t70 -160.1 -151.84 0.27 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.472 -178.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 18.7 m-20 -93.2 103.49 9.56 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.812 0.339 . . . . 0.0 111.115 -177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 44' ' ' ASP . 73.4 Cg_endo -79.18 -1.39 11.52 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.909 2.406 . . . . 0.0 112.348 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -86.15 -9.43 56.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.153 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -91.42 -100.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.448 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 5.3 p 42.83 62.38 1.79 Allowed 'General case' 0 C--O 1.233 0.201 0 O-C-N 123.783 0.677 . . . . 0.0 112.493 177.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.42 167.63 2.46 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.36 176.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -55.41 -49.55 72.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.968 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.66 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 10.7 mmpt? -57.07 -37.48 71.92 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.526 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 5' ' ' TRP . 48.4 mm -64.57 -50.42 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.477 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.91 -33.7 76.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.638 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.591 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 45.6 tt0 -59.08 -44.33 91.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.828 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.025 0.441 . . . . 0.0 111.056 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.8 mt -72.28 -32.59 43.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.396 0.617 . . . . 0.0 110.441 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.0 tm? -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.787 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 88.8 mt -62.88 -46.02 89.8 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.692 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' HA3' ' A' ' 12' ' ' GLY . 4.2 p -64.26 -37.73 80.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.595 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -61.53 -44.49 96.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.566 HD23 ' HB2' ' A' ' 24' ' ' PRO . 93.0 mt -55.58 -55.68 29.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.091 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.65 -36.63 84.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.785 -172.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -75.88 -31.72 59.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 -178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.643 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . -90.13 -47.71 7.64 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -174.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.614 -0.708 . . . . 0.0 111.202 -174.711 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 120.816 0.341 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.33 -144.95 6.55 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 176.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 93.9 mt -60.73 135.73 57.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 173.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.699 ' HA ' ' HB2' ' A' ' 44' ' ' ASP . 29.2 mmtp -99.32 161.87 13.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 177.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.508 ' HB3' HG23 ' A' ' 53' ' ' ILE . 60.0 m95 -62.26 -19.41 63.2 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -84.03 -10.64 57.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.928 0.394 . . . . 0.0 111.703 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -90.0 51.1 1.98 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.208 0.528 . . . . 0.0 109.734 178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.474 ' O ' HG11 ' A' ' 60' ' ' VAL . 26.4 p -57.28 -37.34 72.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.451 -0.795 . . . . 0.0 112.581 -173.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.626 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.7 ttp180 -62.93 -50.39 71.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.16 -177.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.5 mp0 -64.94 -34.38 78.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.59 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 57' ' ' ILE . 81.2 mt -69.63 -41.14 80.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.394 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.515 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -62.44 -43.39 99.11 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.075 -0.584 . . . . 0.0 111.852 177.148 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -61.81 -38.5 88.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.728 0.299 . . . . 0.0 110.417 176.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -50.96 71.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 177.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.43 -40.94 89.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.042 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -66.88 -32.9 74.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.036 0.446 . . . . 0.0 111.02 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.12 -45.78 55.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.938 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.06 -31.57 44.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.803 -176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -128.99 69.08 80.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.72 0.295 . . . . 0.0 111.012 -178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.69 -11.33 16.95 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.499 2.132 . . . . 0.0 112.394 -178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -89.34 -15.03 34.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 49.4 mt -91.53 107.3 19.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.1 -176.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.96 127.41 93.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.297 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HG2' HD23 ' A' ' 62' ' ' LEU . 26.1 Cg_endo -62.63 -9.1 14.82 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 123.164 2.576 . . . . 0.0 113.976 -173.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -78.92 -24.87 43.79 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.8 p -88.46 -25.32 22.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.034 -177.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.4 t -86.14 117.98 31.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.704 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.9 mtp180 -92.82 169.04 10.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 176.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -55.66 -41.28 73.4 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.183 0.302 . . . . 0.0 110.527 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -53.42 -50.3 65.49 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.76 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.1 -40.84 59.65 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.942 0.401 . . . . 0.0 110.903 -178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -58.64 -37.7 76.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.311 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -62.01 -35.18 77.77 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.93 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -63.51 -58.91 5.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 0.0 110.276 -175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -64.94 -39.91 94.22 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.204 -175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.535 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -69.12 -30.34 46.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.937 -177.671 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.6 t -77.58 -26.3 50.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.929 0.395 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.43 3.08 45.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.579 -178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.594 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 70.6 mt -70.09 121.41 17.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -71.67 -23.6 61.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.024 0.44 . . . . 0.0 110.089 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -80.53 -19.34 45.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.061 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.594 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 78.0 t80 -91.55 131.0 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.423 178.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -163.43 92.74 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.12 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.699 ' HB2' ' HA ' ' A' ' 4' ' ' LYS . 51.3 t0 -131.15 -82.16 0.52 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.247 179.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -147.54 113.31 4.04 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.985 171.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.92 -20.2 29.68 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.453 2.102 . . . . 0.0 113.51 -176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -90.19 -37.1 14.39 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.998 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.91 116.9 22.41 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.188 0.518 . . . . 0.0 110.796 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 56.96 0.87 Allowed 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 94.2 m-20 -51.59 153.24 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.887 177.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -49.8 -48.42 50.7 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -173.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -54.53 -42.26 70.67 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.845 0.355 . . . . 0.0 111.536 178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.508 HG23 ' HB3' ' A' ' 5' ' ' TRP . 39.1 mm -56.01 -53.62 36.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.927 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.58 -30.58 63.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.802 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.7 tt0 -61.11 -46.96 88.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.729 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.97 74.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 0.0 111.017 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 11' ' ' ILE . 59.2 mt -72.51 -37.5 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -67.0 -39.54 87.13 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.7 mt -62.15 -43.89 97.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.501 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 9' ' ' ARG . 12.8 p -73.0 -27.97 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.686 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -66.1 -44.59 83.93 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 ' HG2' ' A' ' 24' ' ' PRO . 84.3 mt -59.95 -33.89 72.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.424 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.04 -46.22 62.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.574 -177.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -74.15 -45.38 49.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.491 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.52 54.12 2.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.32 0.581 . . . . 0.0 110.731 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 . . . . . 0 C--O 1.246 0.891 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.665 178.013 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 95.8 mmm . . . . . 0 N--CA 1.482 1.153 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.445 ' N ' ' HB3' ' A' ' 43' ' ' ASP . . . -144.29 -146.15 4.46 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 91.1 mt -61.97 126.02 25.9 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.627 ' HD2' ' OD2' ' A' ' 44' ' ' ASP . 16.9 mmtp -93.37 163.32 13.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.321 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.669 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 48.5 m95 -71.01 -28.5 64.46 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.975 0.417 . . . . 0.0 110.64 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 p -77.52 -18.33 57.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.905 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.451 ' OD1' ' HB2' ' A' ' 4' ' ' LYS . 4.7 m-20 -90.54 44.27 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.835 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.8 p -58.26 -31.25 67.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.706 -176.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -62.8 -47.72 82.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.197 0.522 . . . . 0.0 110.063 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.07 -35.26 80.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.096 -179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 36' ' ' ILE . 61.1 mt -71.68 -38.29 66.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.82 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.664 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -56.5 -47.24 85.23 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.055 -0.593 . . . . 0.0 112.252 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -66.46 -30.72 71.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.593 0.235 . . . . 0.0 110.86 178.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -49.47 74.11 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.081 0.467 . . . . 0.0 110.356 176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -66.86 -38.46 86.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.689 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -64.59 -37.78 88.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.869 0.366 . . . . 0.0 111.044 178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -71.1 -36.19 72.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.954 0.407 . . . . 0.0 110.853 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -45.72 43.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.058 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -125.24 72.57 65.75 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.725 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 -32.71 3.83 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.277 1.984 . . . . 0.0 112.689 -176.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -90.63 0.78 57.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.978 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 23' ' ' ASP . 4.1 tt -89.25 131.48 35.34 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' N ' HD23 ' A' ' 22' ' ' LEU . 12.3 t70 -66.77 111.3 6.59 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.437 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -76.53 -6.64 17.2 Favored 'Trans proline' 0 CA--C 1.528 0.203 0 C-N-CA 122.447 2.098 . . . . 0.0 112.78 -175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -84.27 -27.46 27.86 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.787 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.5 t -90.05 -2.33 58.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.001 177.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.1 t -83.98 114.56 24.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -88.54 172.13 9.55 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -62.59 -42.56 99.64 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.821 0.343 . . . . 0.0 110.484 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.1 m -59.03 -48.49 81.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.16 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.62 -46.95 80.43 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.195 0.521 . . . . 0.0 110.121 -177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.9 ttp -59.44 -38.51 80.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.337 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.701 ' HA ' HG22 ' A' ' 36' ' ' ILE . 14.1 t-80 -63.34 -29.19 70.54 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.024 -179.124 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -69.11 -38.73 79.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.9 0.381 . . . . 0.0 110.723 -177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.57 -43.1 16.04 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.522 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.701 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -66.14 -33.0 60.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.987 -176.135 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 12.5 t -76.81 -15.65 59.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.88 0.371 . . . . 0.0 110.624 -177.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -106.81 9.39 31.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.165 0.507 . . . . 0.0 110.569 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 81.3 mt -66.74 144.17 56.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.811 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -75.61 -22.09 57.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.425 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -95.78 -15.64 22.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.178 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 56.7 t80 -78.53 136.43 37.56 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.23 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.445 ' HB3' ' N ' ' A' ' 2' ' ' GLY . 33.9 t70 -167.74 102.14 0.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.42 174.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.627 ' OD2' ' HD2' ' A' ' 4' ' ' LYS . 16.1 t70 -151.13 -87.29 0.07 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.855 176.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -146.87 115.78 4.43 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 5.4 Cg_exo -72.98 -27.4 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.528 2.152 . . . . 0.0 111.865 178.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -94.76 35.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.829 -173.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.56 -103.74 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.993 174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.669 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 12.3 p 44.48 64.6 1.28 Allowed 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 177.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -55.58 150.8 11.59 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 170.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -21.25 66.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.525 -172.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.5 mtpp -66.1 -34.61 78.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.902 0.382 . . . . 0.0 110.82 171.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.617 HG21 ' HB3' ' A' ' 5' ' ' TRP . 38.4 mm -69.15 -47.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.582 0.706 . . . . 0.0 109.456 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 49' ' ' SER . 65.9 mt -61.66 -31.89 72.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.497 178.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.5 tt0 -58.4 -48.27 81.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.813 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.92 78.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.93 0.395 . . . . 0.0 111.154 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.74 -39.96 69.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.295 0.569 . . . . 0.0 110.311 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.438 HD13 ' HG ' ' A' ' 62' ' ' LEU . 1.1 tm? -67.97 -38.07 82.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.785 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -62.9 -47.65 82.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.467 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.664 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -66.49 -31.54 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.751 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -65.0 -48.33 74.33 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 174.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HG ' HD13 ' A' ' 58' ' ' LEU . 82.6 mt -57.44 -48.36 79.37 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.183 177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -56.99 -39.42 74.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.811 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.3 -41.66 60.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.757 -178.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.45 -49.42 6.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.363 -0.827 . . . . 0.0 110.391 -174.355 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtm . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.896 0.379 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.16 -129.18 1.04 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.456 ' HB3' HG12 ' A' ' 11' ' ' ILE . 91.1 mt -67.36 113.85 5.58 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 172.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -92.32 161.52 14.65 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.535 ' HB3' HD12 ' A' ' 53' ' ' ILE . 3.3 m95 -66.06 -12.17 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 p -85.98 -16.84 37.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.026 0.441 . . . . 0.0 110.897 176.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 51.7 m-20 -89.8 47.17 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.821 -178.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.1 p -51.75 -39.33 58.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.407 -175.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.615 ' HA ' HG21 ' A' ' 60' ' ' VAL . 16.0 ttt180 -72.09 -48.43 44.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.654 0.264 . . . . 0.0 110.461 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 35.1 mt-10 -63.55 -25.51 68.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' ' 3' ' ' LEU . 67.0 mt -78.08 -42.93 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.098 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.77 -42.13 97.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.959 -0.638 . . . . 0.0 111.856 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.48 -42.18 86.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.653 0.264 . . . . 0.0 110.802 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.45 -45.36 84.83 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 121.14 0.495 . . . . 0.0 110.751 178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 58.3 mt -64.2 -47.94 77.81 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.797 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -62.75 -44.19 96.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.172 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -68.15 -41.16 82.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.394 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.71 -35.25 62.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.707 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -124.66 72.39 60.71 Favored Pre-proline 0 C--N 1.327 -0.37 0 C-N-CA 121.137 -0.225 . . . . 0.0 111.331 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.15 -12.43 15.91 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.092 1.861 . . . . 0.0 111.221 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -90.18 -6.63 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.09 -0.959 . . . . 0.0 111.02 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.48 130.15 56.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.434 -174.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -84.63 123.52 74.27 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.452 ' HB3' ' CD2' ' A' ' 61' ' ' TRP . 32.8 Cg_endo -64.62 -10.85 26.11 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 123.042 2.495 . . . . 0.0 111.927 177.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -60.43 -45.7 92.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.442 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 t -90.25 -5.61 56.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.143 -176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.2 t -81.77 118.68 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-O 120.927 0.394 . . . . 0.0 110.565 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -85.53 166.58 16.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.91 177.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -60.95 -38.58 86.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.972 0.415 . . . . 0.0 109.99 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.1 m -57.38 -43.02 83.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -73.64 -44.95 55.54 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.29 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -61.56 -43.75 98.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.235 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.574 ' HA ' HG22 ' A' ' 36' ' ' ILE . 17.8 t-80 -61.94 -31.92 72.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.761 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -66.14 -45.45 81.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.203 0.525 . . . . 0.0 109.693 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 24.7 m0 -74.43 -42.5 59.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.052 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -63.18 -33.95 63.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.712 -178.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.0 m -75.1 -21.1 59.13 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.039 0.447 . . . . 0.0 110.98 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -87.99 -10.82 49.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.359 -178.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.518 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 68.7 mt -67.29 127.48 32.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.155 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -76.55 -18.98 58.38 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -74.57 -20.23 60.02 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.443 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -85.31 133.79 34.13 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.929 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -163.36 74.08 0.34 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.744 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -139.29 -90.48 0.19 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.774 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -145.86 109.87 4.41 Favored Pre-proline 0 C--N 1.331 -0.214 0 O-C-N 122.319 -0.238 . . . . 0.0 110.695 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.99 -5.21 15.69 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.245 1.963 . . . . 0.0 113.391 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -100.67 -38.32 8.37 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.282 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.04 58.67 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.311 0.577 . . . . 0.0 111.252 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.44 ' HB3' HD21 ' A' ' 54' ' ' LEU . 13.9 m -101.96 55.36 0.8 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 176.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -60.75 157.3 15.11 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.613 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -49.27 -43.86 43.35 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.38 0.882 . . . . 0.0 113.38 -169.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 52' ' ' LYS . 1.9 tmmm? -52.14 -43.37 64.01 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.019 0.438 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 5' ' ' TRP . 47.1 mm -62.56 -59.96 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.139 -178.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.44 HD21 ' HB3' ' A' ' 49' ' ' SER . 85.0 mt -66.31 -29.25 69.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.433 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -61.97 -52.75 62.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.491 178.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 60' ' ' VAL . . . -57.97 -36.91 73.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.945 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 75.5 mt -67.04 -46.32 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.701 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -65.1 -39.29 92.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.292 -178.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.6 mt -58.91 -41.17 86.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.615 HG21 ' HA ' ' A' ' 9' ' ' ARG . 80.6 t -61.37 -46.78 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.918 0.39 . . . . 0.0 110.459 177.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.452 ' CD2' ' HB3' ' A' ' 24' ' ' PRO . 5.4 t90 -60.83 -42.69 98.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.243 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -63.29 -30.06 71.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.869 0.366 . . . . 0.0 111.228 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -82.4 -36.44 26.72 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.549 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 39.2 mt-10 -85.86 -21.18 28.17 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.15 15.77 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.867 0.365 . . . . 0.0 111.588 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.566 -0.73 . . . . 0.0 110.356 177.82 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.6 -154.37 6.56 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.876 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 95.8 mt -74.04 129.1 37.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.905 0.383 . . . . 0.0 110.802 178.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' CD ' ' HB2' ' A' ' 44' ' ' ASP . 67.3 mmtt -105.2 174.15 6.0 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 171.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -71.64 -19.3 62.12 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.487 0.66 . . . . 0.0 109.516 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 m -67.37 -24.85 65.74 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.213 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 29.9 m-20 -90.44 41.66 1.06 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -59.55 -30.84 68.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.754 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 ttp180 -70.2 -49.83 46.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.25 0.547 . . . . 0.0 109.762 177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 19.6 mp0 -59.97 -38.96 84.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.444 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 71.7 mt -66.78 -39.42 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.421 178.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.589 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.67 -42.37 97.84 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.928 -0.653 . . . . 0.0 111.857 176.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -63.47 -41.91 98.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.72 -0.24 . . . . 0.0 110.554 176.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.47 -47.16 76.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.141 0.496 . . . . 0.0 111.043 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 54.7 mt -65.06 -44.09 90.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.403 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 65' ' ' ALA . 58.8 t80 -71.73 -27.83 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.907 0.384 . . . . 0.0 111.091 -178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -76.02 -37.26 58.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.063 0.459 . . . . 0.0 110.57 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.24 -36.7 46.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.343 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -129.53 70.84 82.06 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.304 -177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -77.2 -29.55 4.92 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.124 1.883 . . . . 0.0 111.898 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.71 46.22 1.31 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.818 0.818 . . . . 0.0 109.915 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.93 132.78 15.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.612 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -76.33 118.55 72.22 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 120.729 0.3 . . . . 0.0 110.497 176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.556 ' HG2' HD23 ' A' ' 62' ' ' LEU . 40.2 Cg_endo -69.2 -4.98 14.75 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.535 2.157 . . . . 0.0 112.317 178.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.82 -31.62 25.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.779 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.8 p -82.26 -24.69 34.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.131 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.0 123.7 27.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.74 174.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -95.59 177.13 5.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -62.47 -39.03 92.12 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.001 -0.28 . . . . 0.0 110.911 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.5 p -68.34 -35.23 77.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -68.38 -47.55 67.06 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.996 0.427 . . . . 0.0 110.025 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.433 ' SD ' HD11 ' A' ' 15' ' ' LEU . 13.8 tmm? -62.97 -44.17 96.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.677 179.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.595 ' HA ' HG22 ' A' ' 36' ' ' ILE . 61.1 t-80 -61.48 -32.81 72.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.808 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -58.46 -49.16 78.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.068 0.461 . . . . 0.0 110.171 -178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -73.83 -43.09 59.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.824 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.688 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.45 -23.79 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.721 -177.708 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 t -72.32 -28.62 63.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.375 -177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -112.88 18.07 18.46 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.549 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.688 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 33.8 mt -63.34 116.68 5.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 173.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.68 -34.15 70.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.581 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' OD2' ' HG ' ' A' ' 3' ' ' LEU . 36.4 t70 -82.13 -17.42 46.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.01 0.433 . . . . 0.0 110.96 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.606 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 86.8 t80 -77.65 130.95 37.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -152.62 90.81 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.884 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' HB2' ' CD ' ' A' ' 4' ' ' LYS . 32.8 t70 -152.55 -94.57 0.05 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.537 173.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -146.32 106.55 4.12 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.633 0.254 . . . . 0.0 110.462 175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.32 -27.33 84.66 Favored 'Trans proline' 0 CA--C 1.531 0.341 0 C-N-CA 122.924 2.416 . . . . 0.0 114.067 -175.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -97.01 -0.41 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -172.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.05 28.15 1.24 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.878 175.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 p -77.02 67.58 3.03 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.608 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.521 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 64.9 m-20 -54.07 157.15 2.67 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.613 173.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -52.73 -56.82 12.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.613 0.244 . . . . 0.0 111.584 -176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 55' ' ' GLU . 67.1 mmtt -68.15 -21.04 64.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.256 -175.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.521 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.55 -54.85 28.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 172.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 91.9 mt -69.49 -34.47 74.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.632 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.511 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.4 tt0 -58.73 -50.43 73.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.725 179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.34 -35.47 73.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.914 0.388 . . . . 0.0 111.145 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 74.6 mt -72.64 -35.58 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -73.82 -39.24 64.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.792 179.192 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -61.29 -45.22 95.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.682 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.589 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.1 p -67.15 -32.22 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 120.87 0.366 . . . . 0.0 110.594 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -63.91 -47.31 81.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD23 ' HG2' ' A' ' 24' ' ' PRO . 96.1 mt -58.24 -43.06 87.6 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.933 177.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -66.04 -34.02 77.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.674 -175.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -86.32 -22.12 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.892 0.33 . . . . 0.0 111.892 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' HA ' ' CE1' ' A' ' 16' ' ' TYR . . . -88.81 -58.0 2.71 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -174.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.593 -0.718 . . . . 0.0 110.915 -171.786 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.806 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 27.0 ptt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.608 -0.145 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.61 27.67 3.49 Favored Glycine 0 N--CA 1.437 -1.27 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.24 179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.37 119.98 7.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.956 0.407 . . . . 0.0 111.271 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -92.15 151.32 20.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.448 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.632 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 84.9 m95 -66.4 -16.43 64.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.611 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 t -77.5 -6.95 55.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.266 0.555 . . . . 0.0 110.237 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 43.1 m-20 -106.77 48.9 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.924 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 p -63.26 -27.53 69.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.784 -175.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 37.3 ttp180 -73.72 -45.85 49.63 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 178.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.534 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 18.5 mp0 -56.61 -44.97 81.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.468 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.0 mt -66.71 -35.97 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.44 -40.17 95.8 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.941 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 43.2 mt-10 -60.47 -46.48 89.93 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.5 -46.2 84.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.319 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 mt -68.15 -47.32 68.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.436 -177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -69.72 -31.71 69.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.747 0.308 . . . . 0.0 111.195 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -78.29 -38.18 43.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.695 0.283 . . . . 0.0 110.833 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.05 -29.35 55.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.834 0.35 . . . . 0.0 111.113 179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 96.7 m-85 -127.64 68.64 74.69 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.221 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.07 -18.56 14.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.008 1.805 . . . . 0.0 111.648 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -90.88 6.64 43.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.351 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 4.4 mm? -108.6 134.42 51.37 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.122 0.487 . . . . 0.0 110.893 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' HB3' HG22 ' A' ' 26' ' ' THR . 13.7 t70 -85.37 122.39 73.63 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.164 175.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.416 ' HG2' HD23 ' A' ' 62' ' ' LEU . 33.0 Cg_endo -65.02 -15.72 51.89 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 122.806 2.337 . . . . 0.0 113.12 -176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -84.09 -31.27 25.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.705 0.288 . . . . 0.0 110.96 -178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' ' 23' ' ' ASP . 11.1 t -87.11 -17.81 31.95 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.756 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 23' ' ' ASP . 91.6 t -82.2 105.58 12.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 174.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -86.7 177.4 7.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.232 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -61.19 -42.75 99.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.587 0.232 . . . . 0.0 110.864 -176.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.23 -36.28 81.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.503 179.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -73.74 -49.03 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -62.45 -41.94 99.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.995 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -54.5 -35.55 63.24 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.734 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -73.5 -51.88 15.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.008 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -61.91 -47.21 85.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.966 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -65.97 -35.39 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.829 -176.425 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 42' ' ' PHE . 84.5 m -79.08 -11.89 60.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.062 0.458 . . . . 0.0 110.922 179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -96.36 -4.64 41.58 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.369 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.496 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 80.7 mt -60.46 141.16 56.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.364 178.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.15 -36.97 80.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.356 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.806 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 12.4 p-10 -96.57 -2.65 44.53 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 37' ' ' CYS . 58.1 t80 -77.65 117.26 18.89 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.453 -0.899 . . . . 0.0 109.507 169.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -161.53 83.89 0.62 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -144.7 -80.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.016 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -145.32 103.42 4.34 Favored Pre-proline 0 C--N 1.33 -0.25 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.088 -179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.54 2.25 8.52 Favored 'Trans proline' 0 CA--C 1.53 0.283 0 C-N-CA 122.946 2.431 . . . . 0.0 113.037 178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -104.42 -35.34 7.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 -175.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.41 13.79 9.28 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.632 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 3.8 p -76.6 53.62 0.89 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.701 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -61.49 166.18 4.26 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.924 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.34 -45.81 80.22 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -69.25 -29.73 67.71 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.407 -176.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mm -60.8 -47.74 91.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.18 0.514 . . . . 0.0 109.813 170.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.41 -35.61 80.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.378 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.584 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.5 tt0 -61.5 -44.14 97.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.94 -35.61 71.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.108 0.48 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 52.8 mt -79.91 -29.83 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.497 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.44 -37.19 63.36 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.807 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.7 mt -61.62 -41.84 98.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.796 -179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.42 -33.42 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.894 0.378 . . . . 0.0 110.052 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.406 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 4.3 t90 -64.07 -44.05 93.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.2 mt -59.6 -46.17 89.74 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.433 178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -70.82 -37.99 73.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.627 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -75.58 -20.8 58.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.0 -62.33 1.66 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.502 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.388 -178.409 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.55 ' HA ' ' OD2' ' A' ' 43' ' ' ASP . 1.9 mpt? . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.607 ' H ' ' HB3' ' A' ' 43' ' ' ASP . . . -130.66 -130.59 3.21 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 119.923 -1.132 . . . . 0.0 111.741 -178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 96.1 mt -66.56 102.36 0.89 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.956 0.408 . . . . 0.0 110.796 177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' HD3' ' HB2' ' A' ' 44' ' ' ASP . 73.8 mmtt -91.86 154.09 19.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.515 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 34.0 m95 -61.31 -25.33 67.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.528 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.2 -6.87 59.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.08 0.467 . . . . 0.0 111.247 178.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.439 ' O ' HG13 ' A' ' 11' ' ' ILE . 15.8 m-20 -107.91 45.08 1.03 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.221 175.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.3 p -57.65 -30.46 65.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.563 -175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' HA ' HG21 ' A' ' 60' ' ' VAL . 53.4 ttp180 -66.16 -46.64 76.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.6 -36.59 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.042 178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.467 HG12 ' HB3' ' A' ' 3' ' ' LEU . 61.2 mt -69.0 -39.78 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.54 179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.757 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.11 -47.54 88.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.086 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.98 -35.92 81.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.446 0.165 . . . . 0.0 110.673 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.34 90.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.19 0.519 . . . . 0.0 110.847 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.521 HD21 HD11 ' A' ' 39' ' ' LEU . 37.5 mt -68.35 -39.72 81.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.961 -178.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -70.62 -33.45 71.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.026 0.441 . . . . 0.0 110.536 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -69.83 -41.24 75.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.744 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 -35.33 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -127.65 78.44 74.88 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.482 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -76.25 -35.63 2.22 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.839 2.359 . . . . 0.0 112.486 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -86.86 -3.02 59.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.732 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 41.1 tp -89.82 120.66 31.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.186 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.536 ' OD2' ' HB2' ' A' ' 25' ' ' LYS . 18.8 t70 -75.49 119.29 76.35 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.86 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HG2' HD23 ' A' ' 62' ' ' LEU . 39.4 Cg_endo -66.65 -10.96 29.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 123.06 2.507 . . . . 0.0 113.387 -175.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 49.1 mttm -83.87 -24.7 30.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.0 p -88.62 -7.62 56.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.269 0.557 . . . . 0.0 110.259 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.29 105.5 16.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.892 177.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -87.39 169.31 12.37 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.41 ' HE1' ' HA ' ' A' ' 55' ' ' GLU . 77.6 m-85 -57.38 -38.36 74.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.721 0.296 . . . . 0.0 111.208 -176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.1 p -64.66 -42.69 95.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.284 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.56 ' HA ' HE21 ' A' ' 34' ' ' GLN . 10.0 m-20 -65.51 -50.26 65.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.16 0.505 . . . . 0.0 109.89 176.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.9 ttp -59.55 -39.11 82.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.95 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.619 ' HA ' HG22 ' A' ' 36' ' ' ILE . 34.5 t-80 -63.0 -33.26 75.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.016 -176.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.56 HE21 ' HA ' ' A' ' 31' ' ' ASP . 45.8 mt-30 -65.7 -39.12 90.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.688 -177.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -86.5 -37.44 18.23 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.83 -176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.624 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.16 -35.87 65.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.679 -177.278 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.1 t -78.13 -12.73 60.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.276 0.56 . . . . 0.0 110.241 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -115.55 24.79 11.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.978 0.894 . . . . 0.0 109.576 -179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.707 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 63.6 mt -75.87 137.63 40.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.965 176.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -65.96 -34.32 77.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.246 -177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -92.5 -10.97 35.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.891 0.376 . . . . 0.0 111.21 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.707 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 76.2 t80 -61.88 127.39 31.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.607 ' HB3' ' H ' ' A' ' 2' ' ' GLY . 25.9 t70 -148.34 79.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.587 -178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.509 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 45.9 t0 -170.05 172.49 6.43 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -176.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.12 107.29 4.2 Favored Pre-proline 0 C--N 1.328 -0.344 0 C-N-CA 122.796 0.438 . . . . 0.0 111.779 -173.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' ' 44' ' ' ASP . 29.4 Cg_endo -69.71 -9.18 25.5 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.125 2.55 . . . . 0.0 113.348 -175.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -82.1 -36.97 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.31 24.82 0.42 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.978 -0.555 . . . . 0.0 112.388 -177.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.462 ' HB2' HD21 ' A' ' 54' ' ' LEU . 55.4 p -76.52 65.78 2.41 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.536 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.1 m-80 -54.28 155.55 3.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.479 177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.51 -50.0 73.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 -172.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.86 -19.49 65.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.804 0.335 . . . . 0.0 111.357 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.536 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 30.5 mm -67.85 -54.11 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 49' ' ' SER . 59.5 mt -65.45 -33.33 75.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.315 179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.2 tt0 -57.59 -48.92 78.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.681 177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.82 -36.61 79.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.9 mt -67.5 -43.0 87.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.716 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -67.06 -41.08 87.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.4 mt -61.03 -46.44 90.71 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.514 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.757 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.4 p -69.57 -29.79 42.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.924 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -63.41 -46.84 84.54 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.532 HD23 ' HG2' ' A' ' 24' ' ' PRO . 89.6 mt -56.4 -43.36 79.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.594 175.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -65.51 -38.91 91.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.894 -176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -76.63 -31.92 57.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.428 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.89 -36.3 42.28 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.699 -175.779 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.7 ttm . . . . . 0 N--CA 1.477 0.894 0 CA-C-O 120.871 0.367 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.57 -134.6 2.17 Favored Glycine 0 N--CA 1.452 -0.272 0 N-CA-C 111.632 -0.587 . . . . 0.0 111.632 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.58 HD13 HG12 ' A' ' 11' ' ' ILE . 94.7 mt -59.79 133.08 55.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.958 0.409 . . . . 0.0 111.464 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -91.18 152.46 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.646 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.447 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 33.7 m95 -71.19 -12.2 61.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.888 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 t -101.44 6.97 42.71 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.511 0.672 . . . . 0.0 110.334 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.44 64.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.372 178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.409 ' O ' HG11 ' A' ' 60' ' ' VAL . 21.4 p -62.48 -38.32 89.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.879 . . . . 0.0 112.907 -170.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.681 ' HA ' HG21 ' A' ' 60' ' ' VAL . 48.0 ttt85 -66.13 -47.73 73.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.294 -173.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.38 -30.52 69.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.942 0.401 . . . . 0.0 110.865 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.58 HG12 HD13 ' A' ' 3' ' ' LEU . 60.1 mt -82.05 -40.1 17.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.964 0.412 . . . . 0.0 110.479 179.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.96 -44.86 95.9 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.88 177.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.17 -36.44 84.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.424 0.154 . . . . 0.0 110.911 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -48.49 81.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.017 0.437 . . . . 0.0 110.385 177.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD11 ' SD ' ' A' ' 32' ' ' MET . 35.2 mt -65.58 -43.48 89.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.921 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.4 t80 -63.79 -38.44 91.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.07 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.64 -41.86 65.04 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.095 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.48 -38.44 77.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.166 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -125.6 77.39 69.39 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.478 -178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.0 -32.85 3.02 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.878 2.385 . . . . 0.0 112.429 -176.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -89.95 -1.03 57.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.235 -178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 tt -102.22 118.1 36.17 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 13.3 m-20 -79.37 124.93 83.95 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.799 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.444 ' HB3' ' CD2' ' A' ' 61' ' ' TRP . 19.3 Cg_endo -59.54 -17.21 40.24 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.15 2.566 . . . . 0.0 111.916 177.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.28 -34.22 76.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.333 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 41.0 p -91.3 7.77 39.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.613 -178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.8 t -103.09 123.19 56.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.059 0.457 . . . . 0.0 110.69 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 68.6 mtm180 -93.53 172.54 8.21 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.07 -0.513 . . . . 0.0 109.845 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.91 -38.51 91.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.844 0.354 . . . . 0.0 110.819 -176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 20.8 p -63.09 -36.67 84.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.208 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.65 -53.62 13.04 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.052 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.417 ' SD ' HD11 ' A' ' 15' ' ' LEU . 8.5 tmm? -59.52 -39.23 83.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.184 -177.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HG ' ' A' ' 49' ' ' SER . 59.1 t-80 -54.59 -37.38 65.48 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.989 178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 mm100 -78.08 -41.73 34.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.038 -174.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 36.7 m0 -69.75 -39.15 76.91 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.292 -178.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -73.42 -33.25 39.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.258 -179.697 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.2 t -70.16 -22.45 62.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 111.058 -177.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.82 30.23 7.18 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.361 0.601 . . . . 0.0 110.59 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.656 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 58.7 mt -80.89 136.71 36.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.8 174.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.03 -32.22 73.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.639 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -84.08 -18.23 37.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.018 179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.656 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 72.5 t80 -88.31 136.12 33.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.984 0.421 . . . . 0.0 111.183 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -170.3 74.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.58 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -129.03 -81.64 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.128 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -145.1 98.46 4.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.96 -11.27 19.8 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.751 2.301 . . . . 0.0 113.512 -175.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -102.65 -23.44 13.84 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -173.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.55 -93.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.46 ' HG ' ' CD2' ' A' ' 33' ' ' HIS . 11.4 p 43.83 63.31 1.63 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 174.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 37.8 m-80 -59.0 161.16 5.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.66 176.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.37 -50.3 62.69 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -55.36 -31.03 61.43 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.009 0.433 . . . . 0.0 111.039 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 41.1 mm -68.54 -55.4 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 178.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.05 -36.38 81.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.593 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 43.7 tt0 -63.32 -46.19 87.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.944 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.31 81.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.135 0.493 . . . . 0.0 110.872 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -72.24 -33.0 45.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.527 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.462 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.3 tm? -71.01 -40.31 71.89 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 94.2 mt -62.58 -41.73 99.13 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.512 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.681 HG21 ' HA ' ' A' ' 9' ' ' ARG . 13.9 p -71.32 -31.77 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.425 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.444 ' CD2' ' HB3' ' A' ' 24' ' ' PRO . 5.7 t90 -64.71 -42.85 94.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 175.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.3 mt -60.79 -41.35 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.642 176.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.57 -37.44 82.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.017 -176.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.08 -16.29 56.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.528 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.6 -50.05 6.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.622 -0.704 . . . . 0.0 110.401 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtm . . . . . 0 N--CA 1.48 1.025 0 CA-C-O 121.034 0.445 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 172.23 -126.64 1.3 Allowed Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.454 HD13 HG12 ' A' ' 11' ' ' ILE . 92.8 mt -76.01 134.66 40.07 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 172.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HG2' ' OD2' ' A' ' 7' ' ' ASP . 4.7 mmtm -95.98 173.31 7.5 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.508 ' HB3' HD12 ' A' ' 53' ' ' ILE . 52.8 m95 -74.76 -19.07 60.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.201 0.525 . . . . 0.0 110.387 174.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 m -80.31 -12.13 59.64 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.139 175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.604 ' OD2' ' HG2' ' A' ' 4' ' ' LYS . 93.8 m-20 -86.22 52.4 2.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.288 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 60' ' ' VAL . 6.9 p -62.79 -29.4 70.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.597 -176.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.5 tpp180 -73.88 -55.02 6.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.09 0.471 . . . . 0.0 109.841 178.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 32.6 mp0 -58.51 -39.88 81.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.802 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG12 HD13 ' A' ' 3' ' ' LEU . 50.2 mt -70.96 -42.95 77.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.91 177.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.508 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.86 -45.9 93.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.225 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' HG2' ' OE2' ' A' ' 64' ' ' GLU . 42.8 mt-10 -65.67 -31.89 73.16 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.526 -0.176 . . . . 0.0 110.526 178.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' A' ' 17' ' ' ASP . . . -67.67 -39.45 84.49 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.178 0.513 . . . . 0.0 111.371 179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.8 mt -70.17 -39.9 75.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.776 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -72.39 -24.3 61.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.294 0.568 . . . . 0.0 109.8 175.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 8.8 t70 -66.02 -54.45 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.578 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.03 -36.64 72.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.365 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -128.54 73.04 80.77 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.656 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 -38.42 3.57 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.347 2.031 . . . . 0.0 112.423 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -91.09 31.17 1.12 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.96 -178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tt -122.99 121.72 36.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 9.6 m-20 -78.71 118.56 73.13 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.501 -177.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.68 ' HG2' HD23 ' A' ' 62' ' ' LEU . 24.0 Cg_endo -62.99 -10.85 21.97 Favored 'Trans proline' 0 CA--C 1.529 0.261 0 C-N-CA 122.987 2.458 . . . . 0.0 111.942 174.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -54.8 -46.07 74.44 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.588 173.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.6 p -92.19 9.46 33.57 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.051 -178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.09 114.03 44.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.79 0.329 . . . . 0.0 110.796 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -94.3 179.74 5.2 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.404 174.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -62.33 -43.72 98.16 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -172.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 83.6 m -62.44 -44.56 96.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.126 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -61.8 -48.21 81.63 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.218 0.532 . . . . 0.0 110.335 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.497 ' HE1' ' HB ' ' A' ' 57' ' ' ILE . 14.1 ttp -61.31 -36.89 81.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.007 179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.722 ' HA ' HG22 ' A' ' 36' ' ' ILE . 33.7 t-80 -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 30' ' ' THR . 31.6 mm-40 -60.65 -44.44 96.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.223 0.535 . . . . 0.0 110.181 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -84.43 -38.96 19.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.269 -174.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.722 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -71.22 -31.13 43.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.277 -176.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.8 t -72.97 -20.11 61.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.312 0.577 . . . . 0.0 110.356 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -110.69 37.82 2.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.678 0.751 . . . . 0.0 110.166 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 60.4 mt -90.45 157.76 17.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.453 177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -85.44 -29.55 24.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.733 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -88.06 -17.59 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.167 -178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.659 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 81.6 t80 -92.19 131.4 37.46 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.773 -178.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -170.85 97.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.104 172.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -143.73 -76.14 0.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.864 178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -145.7 104.53 4.24 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.154 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.57 -5.71 17.53 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 122.361 2.041 . . . . 0.0 113.766 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -104.61 -22.2 13.29 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.16 -92.64 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.778 0.323 . . . . 0.0 111.223 -178.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m 54.74 63.74 2.04 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.799 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.587 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 75.1 m-20 -59.3 154.38 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.241 -0.184 . . . . 0.0 110.665 177.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.92 -47.94 81.38 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.071 -0.251 . . . . 0.0 111.57 -176.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -67.97 -24.73 65.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.886 0.374 . . . . 0.0 111.013 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.587 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 17.9 mm -60.82 -57.06 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.684 172.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.8 mt -65.38 -33.01 74.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.53 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 38.1 tt0 -57.47 -50.61 72.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.003 178.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.65 -35.53 76.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.148 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.497 ' HB ' ' HE1' ' A' ' 32' ' ' MET . 66.5 mt -71.85 -38.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.292 0.568 . . . . 0.0 110.568 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.4 tm? -67.94 -39.6 83.43 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.845 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 72.1 mt -64.99 -40.88 95.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.744 -179.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.508 HG13 ' HA3' ' A' ' 12' ' ' GLY . 8.7 p -71.52 -32.74 47.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.481 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -64.85 -42.64 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.68 HD23 ' HG2' ' A' ' 24' ' ' PRO . 64.0 mt -54.44 -50.9 66.57 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.21 173.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -54.55 -31.43 56.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.541 -174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.465 ' OE2' ' HG2' ' A' ' 13' ' ' GLU . 51.0 mt-10 -86.0 -26.46 25.42 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.352 . . . . 0.0 111.523 -179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.93 -27.81 18.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 62' ' ' LEU . 12.6 mm-40 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.188 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HA ' ' O ' ' A' ' 43' ' ' ASP . 71.2 mtm . . . . . 0 N--CA 1.477 0.913 0 CA-C-O 121.327 0.584 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.59 -118.38 3.16 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.336 -1.106 . . . . 0.0 110.336 173.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.58 139.27 58.43 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 172.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -105.61 154.11 20.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.213 -178.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.54 ' HB3' HD12 ' A' ' 53' ' ' ILE . 21.3 m95 -56.79 -31.45 64.68 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.865 0.365 . . . . 0.0 111.374 178.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 m -65.38 -27.64 68.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.979 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -89.21 60.56 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.462 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.466 ' O ' HG11 ' A' ' 60' ' ' VAL . 6.5 p -59.96 -36.01 76.19 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.039 -175.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.721 ' HA ' HG21 ' A' ' 60' ' ' VAL . 40.6 ttt85 -67.91 -49.37 62.31 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.936 -0.305 . . . . 0.0 110.351 -178.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.13 -31.71 72.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.574 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.463 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 82.8 mt -73.78 -42.69 54.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.293 176.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.657 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.3 -42.19 97.22 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 177.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -64.95 -39.29 93.26 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.08 86.5 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.047 0.451 . . . . 0.0 110.73 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 40.3 mt -65.15 -37.86 88.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.928 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -75.84 -39.11 57.27 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.842 0.354 . . . . 0.0 111.084 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -66.77 -44.81 80.39 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.06 -178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.88 -26.1 31.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -178.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 64.7 m-85 -131.61 66.24 77.75 Favored Pre-proline 0 CA--C 1.532 0.259 0 CA-C-O 120.456 0.17 . . . . 0.0 111.223 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.79 -22.34 17.81 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 121.787 1.658 . . . . 0.0 111.355 177.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -90.92 19.32 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.712 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 1.4 tt -122.73 112.85 18.42 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.992 0.425 . . . . 0.0 109.955 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.13 123.47 82.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.738 177.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.587 ' HB2' HD23 ' A' ' 62' ' ' LEU . 74.2 Cg_endo -76.3 -10.06 19.07 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.51 2.14 . . . . 0.0 113.417 -176.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -82.7 -28.59 30.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.016 0.436 . . . . 0.0 110.312 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.7 t -90.21 14.35 12.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.448 0.642 . . . . 0.0 110.666 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 39.0 t -106.3 120.16 56.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.568 178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.66 173.55 7.72 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 173.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -59.37 -41.34 89.06 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.748 0.309 . . . . 0.0 110.617 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -63.8 -39.27 93.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.221 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -67.61 -49.89 60.81 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.377 0.608 . . . . 0.0 109.814 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.9 ttp -63.6 -34.5 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.216 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 37' ' ' CYS . 37.8 t-80 -61.0 -26.22 67.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.217 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -74.23 -60.54 2.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.126 0.489 . . . . 0.0 110.133 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -63.08 -36.64 84.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.338 -175.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.681 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -72.89 -30.58 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.488 -177.228 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 33' ' ' HIS . 39.8 t -68.22 -40.08 82.18 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.524 0.202 . . . . 0.0 110.843 -176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -109.9 29.71 7.37 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.499 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.683 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 32.3 mt -56.49 139.95 47.66 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 171.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -59.19 -26.13 64.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.514 -175.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -111.17 -4.9 14.84 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.683 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 86.5 t80 -90.5 137.22 32.53 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.794 -178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.52 ' O ' ' HA ' ' A' ' 1' ' ' MET . 32.4 t70 -170.07 86.5 0.13 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.039 -179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -136.53 -88.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.475 -173.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -145.35 112.85 4.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 -174.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.26 -1.38 11.5 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.232 1.954 . . . . 0.0 114.023 -176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.9 tm0? -113.09 -37.0 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.386 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -89.21 34.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.498 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 7.1 p -82.33 52.6 2.07 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -58.75 166.56 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.808 -0.633 . . . . 0.0 112.054 -175.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -57.65 -41.51 81.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -170.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -68.26 -27.66 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.938 0.399 . . . . 0.0 110.872 -176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' A' ' 5' ' ' TRP . 24.0 mm -68.75 -55.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.418 175.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.67 -33.84 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.311 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.3 tt0 -61.61 -44.82 96.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.794 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.74 81.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.924 0.392 . . . . 0.0 111.015 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.91 -38.46 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 0.0 110.495 179.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.5 tm? -64.88 -42.99 94.36 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 92.8 mt -60.71 -48.93 79.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.472 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' A' ' 9' ' ' ARG . 12.6 p -65.87 -33.38 63.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.755 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -63.47 -42.6 98.6 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.587 HD23 ' HB2' ' A' ' 24' ' ' PRO . 95.7 mt -57.02 -54.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.252 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -64.09 -34.16 77.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.941 -174.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -77.39 -33.97 55.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.539 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . -88.76 -38.54 14.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -174.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.549 -176.068 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.27 -111.39 2.3 Favored Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.3 mt -76.26 132.51 39.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.901 0.381 . . . . 0.0 111.042 176.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.514 ' HB2' ' OD2' ' A' ' 7' ' ' ASP . 31.9 mmtm -90.03 157.31 17.86 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.282 172.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -70.16 -16.48 63.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.151 0.501 . . . . 0.0 110.493 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.9 m -76.72 -19.68 57.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.393 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.514 ' OD2' ' HB2' ' A' ' 4' ' ' LYS . 58.1 m-20 -86.08 63.56 8.09 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.272 -178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 30.6 p -53.7 -44.82 70.11 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -172.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.559 ' O ' ' HG3' ' A' ' 13' ' ' GLU . 32.5 ttt180 -70.45 -47.91 58.38 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.005 -0.278 . . . . 0.0 110.511 -175.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.77 -23.67 67.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.887 0.375 . . . . 0.0 110.963 -176.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.565 HG21 HD13 ' A' ' 57' ' ' ILE . 77.4 mt -77.09 -43.5 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 173.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.98 -43.61 96.75 Favored Glycine 0 C--N 1.331 0.254 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.895 176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 69.8 mt-10 -58.47 -41.49 85.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.727 0.298 . . . . 0.0 110.6 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.61 99.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 38.7 mt -71.5 -38.66 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.037 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -69.73 -36.87 76.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.752 0.31 . . . . 0.0 110.51 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.11 -38.79 92.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.139 0.495 . . . . 0.0 110.68 178.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.97 -40.99 26.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.419 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' LEU . 56.6 m-85 -127.78 75.91 77.67 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.295 -176.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.75 -28.07 3.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.271 1.981 . . . . 0.0 112.387 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -90.72 -6.05 54.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.703 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB2' ' HB3' ' A' ' 19' ' ' TYR . 0.8 OUTLIER -92.59 114.27 26.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.767 -177.649 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.411 ' O ' HG22 ' A' ' 26' ' ' THR . 25.5 m-20 -64.73 119.65 59.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.422 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.559 ' HG2' HD23 ' A' ' 62' ' ' LEU . 19.3 Cg_endo -60.3 -15.07 32.87 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 123.018 2.479 . . . . 0.0 112.598 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -66.2 -38.76 88.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.0 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 23' ' ' ASP . 14.9 t -91.14 5.66 48.13 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.936 0.398 . . . . 0.0 111.058 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 44.8 t -95.41 110.78 24.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -84.18 165.72 18.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.235 -0.438 . . . . 0.0 109.949 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -59.9 -34.85 73.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.854 0.359 . . . . 0.0 110.42 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.46 ' O ' ' HG2' ' A' ' 34' ' ' GLN . 1.7 p -62.64 -53.0 61.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.102 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -59.84 -49.19 78.68 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.27 0.557 . . . . 0.0 109.968 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -59.58 -41.18 89.63 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.652 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.637 ' HA ' HG22 ' A' ' 36' ' ' ILE . 41.5 t-80 -65.48 -35.09 79.87 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.751 -178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 30' ' ' THR . 15.8 mm100 -60.96 -49.37 77.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.901 0.382 . . . . 0.0 110.543 -179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -73.77 -41.4 62.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.961 -176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.704 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -70.3 -32.08 49.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.745 -176.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' A' ' 46' ' ' PRO . 54.0 t -74.57 -18.23 60.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.93 0.395 . . . . 0.0 110.399 178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -111.09 25.48 11.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.491 0.662 . . . . 0.0 110.069 -177.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.704 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 38.8 mt -80.38 144.57 32.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.541 176.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -71.22 -33.22 69.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.533 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -85.95 -18.91 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.949 0.404 . . . . 0.0 110.317 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.504 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 70.7 t80 -79.23 128.94 33.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.919 0.39 . . . . 0.0 110.67 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -169.98 94.07 0.25 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.34 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -158.97 -76.29 0.07 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.2 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 9.0 t70 -145.9 113.44 4.59 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.041 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.472 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 3.0 Cg_endo -78.29 -24.33 8.02 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.79 2.327 . . . . 0.0 112.765 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -84.97 -36.83 21.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.68 -174.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.6 87.0 6.29 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.249 0.547 . . . . 0.0 110.957 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -127.98 61.22 1.44 Allowed 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 174.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.535 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.7 t30 -48.2 141.18 6.58 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 114.251 -1.34 . . . . 0.0 110.559 175.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -48.48 -51.38 27.45 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -172.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 52' ' ' LYS . 18.1 ptpt -61.24 -21.48 63.93 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.535 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 19.8 mm -66.97 -56.19 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.472 0.653 . . . . 0.0 109.572 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.3 mt -67.07 -30.81 70.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.742 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 35.7 tt0 -58.48 -47.84 82.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.782 178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.64 -34.41 77.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.058 0.456 . . . . 0.0 110.801 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.565 HD13 HG21 ' A' ' 11' ' ' ILE . 64.7 mt -69.9 -37.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.64 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 58' ' ' LEU . 2.0 tm? -68.33 -38.46 81.56 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 176.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 89.5 mt -62.47 -46.8 86.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.571 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 9' ' ' ARG . 13.7 p -64.25 -36.23 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.659 0.266 . . . . 0.0 110.58 -178.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -62.29 -42.62 99.51 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 24' ' ' PRO . 98.3 mt -60.91 -39.39 89.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 176.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.52 -37.86 74.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.434 -176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -77.87 -42.31 33.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.211 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.12 68.99 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.467 -177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.689 -0.672 . . . . 0.0 109.862 177.381 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.9 mtp . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.05 0.452 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.13 -134.18 3.2 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 88.3 mt -68.43 115.28 7.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.825 0.821 . . . . 0.0 109.326 171.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.2 tptp -96.54 164.93 12.4 Favored 'General case' 0 N--CA 1.417 -2.124 0 CA-C-N 114.049 -1.432 . . . . 0.0 109.47 -173.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.476 ' CE3' HG21 ' A' ' 53' ' ' ILE . 25.6 m95 -75.38 53.1 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.909 0.861 . . . . 0.0 109.823 173.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.0 m -146.67 -35.76 0.25 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.486 -1.233 . . . . 0.0 109.641 -179.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 4.4 m-20 -78.81 51.91 1.16 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.962 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.531 ' O ' HG11 ' A' ' 60' ' ' VAL . 13.7 p -59.25 -36.29 75.22 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -175.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.626 HH11 HG23 ' A' ' 60' ' ' VAL . 24.7 tpp180 -76.11 -38.47 56.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.195 0.522 . . . . 0.0 109.706 -177.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 10.8 mm-40 -67.75 -44.29 77.87 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.259 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.481 HG12 HD13 ' A' ' 3' ' ' LEU . 77.1 mt -67.84 -29.89 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.835 -178.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 60' ' ' VAL . . . -60.73 -37.08 92.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.46 178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.31 -34.16 75.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.1 86.98 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.339 0.59 . . . . 0.0 110.622 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 mt -69.17 -45.04 70.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.871 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.92 -38.53 83.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.794 179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.05 -45.06 94.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.984 0.421 . . . . 0.0 110.511 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -40.85 64.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.483 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -128.84 78.23 76.49 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.532 0.206 . . . . 0.0 110.695 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.97 -29.94 3.94 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.375 2.05 . . . . 0.0 112.907 -177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -91.33 2.76 56.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -178.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -99.29 134.14 42.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.732 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.6 m-20 -71.92 114.21 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.136 178.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HG2' HD23 ' A' ' 62' ' ' LEU . 30.1 Cg_endo -65.21 -18.42 61.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.548 2.165 . . . . 0.0 110.955 174.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -72.62 -36.78 68.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.887 -1.051 . . . . 0.0 110.221 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.5 m -80.25 -24.85 39.85 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.475 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 23' ' ' ASP . 85.8 t -70.11 126.22 29.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.19 177.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -98.08 174.24 6.64 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.255 -0.43 . . . . 0.0 109.894 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -62.31 -39.19 92.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.825 0.345 . . . . 0.0 110.92 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 18.7 m -62.83 -44.4 96.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.103 178.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -62.13 -56.28 20.35 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.157 0.503 . . . . 0.0 110.527 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 36' ' ' ILE . 13.3 tmm? -59.56 -40.03 85.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.656 -176.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.515 ' HA ' HG22 ' A' ' 36' ' ' ILE . 28.9 t-80 -60.55 -33.07 72.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.04 -178.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -67.47 -40.58 85.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.256 0.55 . . . . 0.0 110.334 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -79.0 -42.51 26.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.188 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -64.66 -31.28 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 121.029 0.442 . . . . 0.0 109.905 179.446 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.5 t -69.63 -30.98 68.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.125 0.488 . . . . 0.0 110.157 177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -99.53 35.57 1.95 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.303 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.644 ' HB2' ' HB3' ' A' ' 42' ' ' PHE . 72.0 mt -86.62 136.11 33.17 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 169.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 1.3 pm0 -75.48 -22.47 57.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.14 -177.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.63 -11.28 29.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.896 0.379 . . . . 0.0 110.468 177.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.644 ' HB3' ' HB2' ' A' ' 39' ' ' LEU . 55.6 t80 -81.38 134.31 35.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 175.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -167.95 98.49 0.45 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.26 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -161.6 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.446 -179.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -145.72 98.98 4.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 C-N-CA 121.007 -0.277 . . . . 0.0 110.945 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.99 -15.04 26.28 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.498 2.132 . . . . 0.0 113.135 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -91.59 -31.89 15.72 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.527 -173.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.12 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.844 -0.162 . . . . 0.0 110.77 179.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB3' HD21 ' A' ' 54' ' ' LEU . 6.2 m 50.12 64.42 1.8 Allowed 'General case' 0 C--N 1.333 -0.144 0 O-C-N 123.681 0.613 . . . . 0.0 111.611 176.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.846 ' HB2' HG12 ' A' ' 53' ' ' ILE . 1.8 m-20 -50.35 148.93 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.589 177.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -63.41 -35.57 80.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -56.72 -41.01 76.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.307 0.575 . . . . 0.0 109.921 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.846 HG12 ' HB2' ' A' ' 50' ' ' ASN . 13.2 mm -64.92 -55.99 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.127 178.074 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 49' ' ' SER . 89.6 mt -59.9 -38.3 81.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.494 -175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.0 tt0 -66.39 -42.03 88.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.304 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.28 91.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.973 0.416 . . . . 0.0 110.627 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 53' ' ' ILE . 63.8 mt -72.33 -29.12 30.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.399 178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -73.67 -38.38 64.95 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.521 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 86.0 mt -63.4 -43.93 96.14 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.89 -0.596 . . . . 0.0 112.074 -179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.626 HG23 HH11 ' A' ' 9' ' ' ARG . 2.4 p -65.75 -34.31 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.838 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.532 ' CG ' ' HB3' ' A' ' 24' ' ' PRO . 5.5 t90 -64.36 -39.01 93.03 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.542 HD23 ' HG2' ' A' ' 24' ' ' PRO . 95.8 mt -61.81 -41.66 98.03 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.846 175.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -55.44 -46.31 76.76 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.859 0.362 . . . . 0.0 111.653 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -71.19 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.817 -174.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.9 -54.87 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--O 1.252 1.207 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.492 -175.314 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 120.94 0.4 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' A' ' 41' ' ' ASP . . . -106.24 -67.65 0.68 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.206 -0.997 . . . . 0.0 112.567 -175.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 94.6 mt -133.2 105.59 7.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.822 0.344 . . . . 0.0 111.085 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' HE3' ' OD2' ' A' ' 44' ' ' ASP . 29.9 mmtp -77.91 146.95 35.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 172.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.44 ' HB3' HG23 ' A' ' 53' ' ' ILE . 98.1 m95 -64.06 -22.39 66.91 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.947 -178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.2 m -67.18 -26.56 66.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.332 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' HB3' ' HG2' ' A' ' 10' ' ' GLU . 27.1 m-20 -87.79 62.27 6.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 109.923 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.9 p -58.17 -35.64 71.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.889 -1.05 . . . . 0.0 113.007 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -73.05 -41.9 63.68 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' ' 7' ' ' ASP . 5.2 mm-40 -61.26 -34.58 75.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.719 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 68.9 mt -82.7 -38.74 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.434 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.541 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -57.93 -45.01 94.2 Favored Glycine 0 N--CA 1.452 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.292 178.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -71.78 -28.9 63.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.551 0.215 . . . . 0.0 110.616 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.0 -42.54 99.26 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-O 121.279 0.562 . . . . 0.0 110.318 175.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 11' ' ' ILE . 46.6 mt -67.07 -34.21 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.507 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -70.51 -34.41 72.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.022 0.439 . . . . 0.0 110.416 177.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -67.88 -48.66 65.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.466 177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.94 -42.45 69.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.687 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -123.89 75.67 57.38 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 111.588 0.218 . . . . 0.0 111.588 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.11 -15.03 13.14 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.264 1.976 . . . . 0.0 111.502 176.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -90.41 -13.9 34.0 Favored 'General case' 0 CA--C 1.517 -0.3 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.777 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.55 137.55 33.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.114 -172.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 27' ' ' VAL . 10.9 m-20 -79.61 119.83 78.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.962 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.719 ' HG3' ' HB3' ' A' ' 65' ' ' ALA . 39.5 Cg_endo -67.33 -18.16 49.89 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 122.046 1.831 . . . . 0.0 111.223 177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG2' HD22 ' A' ' 62' ' ' LEU . 54.6 mtmt -84.27 -18.28 36.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.76 -177.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 23' ' ' ASP . 18.7 p -91.18 -22.92 20.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 174.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 23' ' ' ASP . 67.5 t -72.79 132.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.618 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.536 ' HA ' ' HE ' ' A' ' 28' ' ' ARG . 1.6 mmp_? -101.47 168.68 9.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 173.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HA ' ' A' ' 55' ' ' GLU . 42.6 m-85 -59.44 -44.3 92.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 -174.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.7 t -58.12 -42.54 86.01 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.516 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -64.46 -48.37 75.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.16 0.505 . . . . 0.0 110.128 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 tmm? -59.3 -38.23 79.72 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.412 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' HA ' HG22 ' A' ' 36' ' ' ILE . 45.0 t60 -60.44 -24.02 64.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -76.95 -39.41 50.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.731 0.301 . . . . 0.0 111.022 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -80.65 -44.15 19.3 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.768 -177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -66.36 -31.98 56.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.865 -176.16 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -73.19 -20.77 60.81 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.83 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.65 26.7 10.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.502 0.668 . . . . 0.0 110.377 -177.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 77.9 mt -81.74 138.6 35.18 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.06 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -63.13 -27.79 69.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.565 177.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.556 ' O ' ' HA3' ' A' ' 2' ' ' GLY . 13.4 m-20 -84.51 -18.67 35.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.717 179.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -81.5 120.71 25.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.956 0.408 . . . . 0.0 110.053 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -162.65 57.47 0.21 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.587 ' OD2' ' HE3' ' A' ' 4' ' ' LYS . 4.3 m-20 -137.02 -91.22 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -169.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -120.55 84.55 36.5 Favored Pre-proline 0 C--O 1.222 -0.349 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.803 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.45 -2.18 12.36 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 121.812 1.675 . . . . 0.0 111.718 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -84.25 -18.27 37.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.988 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -125.95 129.17 48.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.083 0.468 . . . . 0.0 111.568 -176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.4 m -157.77 55.92 0.48 Allowed 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.763 174.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.556 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 45.7 t30 -57.3 153.56 12.01 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.695 177.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -53.98 -50.87 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.031 -0.268 . . . . 0.0 111.516 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -64.54 -26.02 68.24 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 111.554 0.205 . . . . 0.0 111.554 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.556 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 18.5 mm -62.59 -53.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 171.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 57.4 mt -66.56 -34.73 78.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.377 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 33.6 tt0 -62.56 -42.91 99.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.317 -177.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.44 -41.12 84.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.151 0.5 . . . . 0.0 110.759 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 64.3 mt -72.26 -33.39 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.477 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -72.34 -41.73 66.15 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.974 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 91.5 mt -60.54 -44.27 96.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.831 -178.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.9 p -68.05 -34.97 69.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.179 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -63.94 -39.6 94.53 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.4 mt -58.58 -49.72 76.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.56 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -74.56 -30.61 61.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.445 -173.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -80.74 -41.8 22.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.671 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.719 ' HB3' ' HG3' ' A' ' 24' ' ' PRO . . . -90.92 21.61 4.08 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.16 178.429 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HA ' ' HB2' ' A' ' 41' ' ' ASP . 26.0 ptt? . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.515 ' HA2' ' HB3' ' A' ' 43' ' ' ASP . . . 121.51 29.99 1.35 Allowed Glycine 0 N--CA 1.441 -0.973 0 C-N-CA 119.984 -1.103 . . . . 0.0 112.817 177.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 90.3 mt -70.8 103.75 2.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.688 0.28 . . . . 0.0 110.295 175.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -95.09 151.91 18.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.444 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.437 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 81.4 m95 -66.06 -14.01 60.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.959 0.409 . . . . 0.0 111.205 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.0 m -74.23 -21.94 59.57 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.121 176.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -102.12 60.38 0.85 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.477 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.2 p -61.59 -30.95 71.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.906 -175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -74.47 -40.03 62.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.763 0.316 . . . . 0.0 110.396 -178.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -65.6 -37.84 87.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 75.3 mt -70.33 -32.67 51.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.269 178.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.628 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -58.64 -48.22 85.89 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.744 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.69 -33.7 76.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.683 0.278 . . . . 0.0 110.649 177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -50.67 72.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.44 -34.12 76.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.699 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -63.9 -45.54 88.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.715 176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.41 -35.84 81.32 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.616 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.97 -46.78 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.703 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -131.28 79.32 70.5 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.678 0.275 . . . . 0.0 111.575 -175.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -80.56 -27.09 3.52 Favored 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 122.78 2.32 . . . . 0.0 111.67 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.92 -22.53 45.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.049 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 tt -88.95 123.01 32.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.671 -175.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 m-20 -68.19 120.34 73.9 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.353 -177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.66 -19.72 61.87 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.824 2.349 . . . . 0.0 111.749 175.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.6 mttp -67.2 -38.64 85.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.436 0.636 . . . . 0.0 109.9 173.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -80.84 -19.37 44.75 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.045 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.529 HG12 ' HB2' ' A' ' 32' ' ' MET . 25.0 t -74.68 115.6 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.636 179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -91.09 158.83 16.43 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -58.33 -40.72 82.84 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 118.236 0.471 . . . . 0.0 111.429 -174.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 p -67.28 -44.17 79.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.418 179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -65.11 -41.35 95.0 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.335 0.588 . . . . 0.0 110.18 177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.529 ' HB2' HG12 ' A' ' 27' ' ' VAL . 22.6 ttt -57.78 -42.0 83.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.382 176.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -58.49 -34.81 71.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.7 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -67.25 -36.73 82.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.414 0.626 . . . . 0.0 110.814 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' CZ3' HG13 ' A' ' 27' ' ' VAL . 8.6 m0 -86.89 -47.67 8.81 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.82 -178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.597 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -70.69 -30.12 40.87 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-O 120.629 0.252 . . . . 0.0 111.285 -174.17 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 39.4 t -79.72 -12.2 59.81 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 121.81 -0.556 . . . . 0.0 110.377 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -115.27 17.16 16.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.462 0.649 . . . . 0.0 110.269 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.747 ' HB2' ' HB2' ' A' ' 42' ' ' PHE . 80.6 mt -63.75 144.13 57.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.303 0.573 . . . . 0.0 110.467 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -60.41 -28.65 68.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.847 -1.07 . . . . 0.0 111.074 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.465 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 22.0 p-10 -114.49 3.75 15.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.747 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 82.9 t80 -61.13 134.37 56.97 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.096 -0.642 . . . . 0.0 109.974 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.515 ' HB3' ' HA2' ' A' ' 2' ' ' GLY . 22.0 t70 -161.75 94.07 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.579 -179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -163.49 -98.95 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.483 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -147.84 116.21 4.15 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 117.81 0.277 . . . . 0.0 110.537 178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -67.31 -9.59 25.73 Favored 'Trans proline' 0 CA--C 1.532 0.376 0 C-N-CA 122.939 2.426 . . . . 0.0 113.911 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -101.72 -35.88 8.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -174.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.45 28.47 0.46 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 2.6 p -78.73 62.19 3.19 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 121.151 0.5 . . . . 0.0 109.784 174.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.561 ' HB2' HG12 ' A' ' 53' ' ' ILE . 85.9 m-20 -54.79 158.81 2.5 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.023 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 13.1 mp0 -58.67 -53.2 61.02 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.889 -174.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 55' ' ' GLU . 19.5 pttm -67.09 -18.5 65.35 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.504 -179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 50' ' ' ASN . 26.9 mm -65.87 -59.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 172.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.67 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 41.5 tt0 -57.12 -49.92 74.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.782 178.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.71 83.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.939 0.4 . . . . 0.0 110.935 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 53' ' ' ILE . 63.8 mt -71.99 -37.12 59.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.4 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 2.1 tm? -65.59 -40.51 92.78 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 177.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 80.3 mt -62.24 -41.41 98.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.781 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.628 HG13 ' HA3' ' A' ' 12' ' ' GLY . 11.7 p -75.82 -30.31 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.209 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -60.92 -45.94 92.63 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 58' ' ' LEU . 96.2 mt -54.75 -51.0 67.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.028 176.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.77 -30.81 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.706 -175.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -83.83 -34.96 24.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.729 0.3 . . . . 0.0 111.425 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.13 -47.5 12.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.593 -0.718 . . . . 0.0 111.277 -175.387 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.06 -126.83 2.64 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.495 178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.2 mt -74.93 100.63 4.17 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 63.5 mmtt -72.09 158.14 36.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.743 ' CZ2' ' HB3' ' A' ' 49' ' ' SER . 67.1 m95 -60.76 -27.53 68.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.096 0.474 . . . . 0.0 111.265 176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.2 m -69.97 -22.68 63.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.388 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' ' 11' ' ' ILE . 73.8 m-20 -85.33 45.33 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.495 -178.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 p -52.87 -38.12 61.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.535 -177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.9 ttm105 -67.3 -44.44 79.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.412 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -73.33 -28.16 61.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.642 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 7' ' ' ASP . 68.0 mt -70.51 -37.15 69.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -58.67 -40.87 95.36 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.597 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.36 -47.94 80.32 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.66 -49.63 76.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.455 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD11 ' SD ' ' A' ' 32' ' ' MET . 20.6 mt -63.49 -42.21 98.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.432 -176.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -69.87 -37.75 76.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.876 0.37 . . . . 0.0 111.171 -178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -73.77 -44.08 57.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.998 0.427 . . . . 0.0 110.981 -177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.03 -29.92 35.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.733 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.52 74.55 74.32 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.754 0.311 . . . . 0.0 110.819 -178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -79.55 -23.34 7.24 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.687 2.258 . . . . 0.0 112.671 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -90.15 -4.37 57.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.573 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.35 107.11 19.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.026 0.441 . . . . 0.0 110.66 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.1 t70 -67.83 123.1 86.2 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.781 177.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.554 ' HG2' HD23 ' A' ' 62' ' ' LEU . 23.5 Cg_endo -61.71 -19.88 66.89 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.163 2.576 . . . . 0.0 113.261 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 59.7 mttm -72.24 -45.96 58.03 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.817 0.341 . . . . 0.0 110.118 178.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 23' ' ' ASP . 12.2 t -77.8 -17.95 56.91 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 -179.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 23' ' ' ASP . 69.8 t -76.09 121.97 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.642 176.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -91.22 163.95 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.242 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' HE1' ' HA ' ' A' ' 55' ' ' GLU . 79.3 m-85 -59.34 -42.39 91.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.029 0.443 . . . . 0.0 110.172 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 34' ' ' GLN . 6.1 m -61.57 -30.69 70.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.531 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -83.23 -44.85 14.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.534 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.454 ' SD ' HD11 ' A' ' 15' ' ' LEU . 14.0 tmm? -59.75 -38.19 81.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' HA ' HG22 ' A' ' 36' ' ' ILE . 48.4 t-80 -57.98 -30.9 66.4 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.144 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 30' ' ' THR . 73.1 mt-30 -68.67 -51.84 37.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.257 0.551 . . . . 0.0 110.142 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -72.6 -38.5 67.8 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.196 -175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 36' ' ' ILE . 0.1 OUTLIER -67.17 -31.23 52.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 -179.532 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 41.2 t -80.98 -21.15 40.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.281 0.562 . . . . 0.0 110.026 176.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -83.52 -7.59 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.266 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 69.6 mt -68.35 131.01 44.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.303 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -81.52 -15.3 55.31 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 176.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.95 -18.02 41.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.135 176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -78.22 140.51 38.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.063 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -167.2 94.47 0.46 Allowed 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.385 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.467 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 2.3 p30 -161.16 -89.77 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.221 170.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 5.9 m-20 -144.24 96.83 5.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.869 0.366 . . . . 0.0 111.298 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 45' ' ' ASP . 37.3 Cg_endo -66.24 -14.94 46.48 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.676 2.25 . . . . 0.0 111.683 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -80.42 -14.98 57.86 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.92 -95.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.4 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.743 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 13.9 p 43.55 63.66 1.48 Allowed 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.766 0.667 . . . . 0.0 112.622 177.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.462 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 90.0 m-20 -59.74 150.67 27.25 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.277 175.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' OE2' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -60.67 -33.54 72.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.876 -178.557 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 28.0 mtpp -61.73 -34.72 76.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.039 0.447 . . . . 0.0 110.206 176.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.631 HG21 ' HB3' ' A' ' 5' ' ' TRP . 25.9 mm -66.01 -52.21 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.734 175.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 51' ' ' GLU . 39.7 mt -59.31 -35.92 74.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.307 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 40.9 tt0 -63.23 -46.33 87.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.877 177.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.85 83.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.994 0.426 . . . . 0.0 110.814 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 71.9 mt -69.01 -37.11 76.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.542 179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.1 tm? -70.76 -40.32 72.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.785 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 87.8 mt -61.36 -44.88 96.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.589 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -69.09 -31.32 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.436 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -65.74 -42.5 90.89 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 24' ' ' PRO . 82.5 mt -57.88 -39.82 78.77 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.749 175.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -70.61 -47.36 60.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.744 -176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -64.73 -42.89 94.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.185 179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.24 23.17 2.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.924 0.393 . . . . 0.0 111.444 -176.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.486 -0.769 . . . . 0.0 109.601 176.723 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.77 0.319 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -141.9 -133.15 2.83 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 97.1 mt -59.92 125.68 24.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.799 0.333 . . . . 0.0 111.345 177.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -98.05 146.6 25.37 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.616 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.419 ' HB3' HD12 ' A' ' 53' ' ' ILE . 39.2 m95 -62.12 -29.48 70.36 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.967 0.413 . . . . 0.0 111.15 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.4 m -66.1 -24.61 66.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.487 0.66 . . . . 0.0 110.099 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 11' ' ' ILE . 4.9 m-20 -99.6 50.36 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.704 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 p -60.91 -22.93 64.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.778 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -63.26 -45.51 91.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.82 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HG2' ' HB3' ' A' ' 7' ' ' ASP . 23.9 mm-40 -72.61 -32.97 66.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.961 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 7' ' ' ASP . 75.2 mt -67.83 -37.63 78.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.59 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' HA3' HG13 ' A' ' 60' ' ' VAL . . . -59.57 -45.82 94.99 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 173.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -61.11 -34.79 75.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.402 -0.399 . . . . 0.0 110.734 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.9 74.33 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.156 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -66.26 -38.94 89.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -70.33 -24.98 63.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.93 0.395 . . . . 0.0 110.634 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -76.43 -46.13 28.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.6 -28.27 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.273 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.505 ' HB3' ' HB3' ' A' ' 22' ' ' LEU . 82.8 m-85 -130.43 78.0 75.0 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.181 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 -36.63 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.853 2.368 . . . . 0.0 112.74 -175.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -90.51 -2.65 57.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.826 -176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HB3' ' HB3' ' A' ' 19' ' ' TYR . 58.4 tp -90.32 118.47 29.85 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.286 -178.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.412 ' OD2' HG22 ' A' ' 26' ' ' THR . 5.6 p-10 -76.65 138.91 66.57 Favored Pre-proline 0 N--CA 1.44 -0.949 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.529 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.62 ' HG2' HD23 ' A' ' 62' ' ' LEU . 98.2 Cg_endo -81.47 4.84 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.726 2.284 . . . . 0.0 111.716 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -77.6 -38.53 48.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.481 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.412 HG22 ' OD2' ' A' ' 23' ' ' ASP . 7.1 t -82.29 -16.94 47.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.101 178.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -74.08 131.12 35.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.998 0.428 . . . . 0.0 111.535 -174.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 70.2 mtm180 -102.37 171.77 7.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.505 174.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.78 -48.38 79.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.724 0.297 . . . . 0.0 110.963 -177.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.6 t -67.68 -33.44 74.94 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.102 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.19 -43.95 73.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.008 0.433 . . . . 0.0 110.343 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.4 ttp -63.32 -36.05 82.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.581 177.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.571 ' HA ' HG22 ' A' ' 36' ' ' ILE . 64.8 t-80 -60.53 -35.72 76.68 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.48 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -56.62 -59.72 4.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.247 0.546 . . . . 0.0 110.098 -179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 4.8 m0 -67.46 -40.82 85.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.094 -174.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.585 ' HA ' ' HG ' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -71.39 -27.69 29.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.703 -175.684 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 46.7 t -70.52 -44.61 67.21 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 122.216 -0.303 . . . . 0.0 111.318 -178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.63 19.07 14.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.585 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 60.8 mt -58.01 134.94 56.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.997 0.427 . . . . 0.0 110.103 173.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -59.25 -29.75 67.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.505 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.13 -1.85 19.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.899 0.381 . . . . 0.0 111.433 -175.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.513 ' CB ' ' HB2' ' A' ' 39' ' ' LEU . 62.2 t80 -81.03 114.87 20.19 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.807 174.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -143.14 97.17 3.04 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.166 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -164.04 -96.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.471 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -145.4 94.66 5.16 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.706 0.289 . . . . 0.0 111.081 179.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.24 -11.67 23.4 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.01 2.473 . . . . 0.0 112.505 178.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -83.06 -35.33 25.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.529 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.55 38.98 0.81 Allowed 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 -175.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.409 ' HB3' HD21 ' A' ' 54' ' ' LEU . 14.6 m -82.13 65.95 7.49 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.586 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 59.5 m-20 -55.43 157.33 3.86 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.85 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.09 -53.74 54.98 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -173.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 38.6 mtmm -60.32 -29.93 69.18 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 110.989 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.586 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.8 mm -58.97 -56.45 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.489 173.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 49' ' ' SER . 86.6 mt -69.72 -33.08 72.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.178 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.581 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 37.6 tt0 -63.31 -39.43 94.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.331 179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.33 -40.52 97.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 0.0 110.594 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.4 mt -66.83 -36.22 76.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.368 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 1.6 tm? -69.35 -42.15 75.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.758 178.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 95.0 mt -62.49 -37.29 85.41 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.101 -0.499 . . . . 0.0 112.108 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.416 HG13 ' HA3' ' A' ' 12' ' ' GLY . 7.2 p -75.27 -35.44 33.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 6.3 t90 -66.8 -36.16 81.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD23 ' HG2' ' A' ' 24' ' ' PRO . 87.4 mt -55.49 -33.87 64.09 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.558 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -82.18 -43.1 18.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.656 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -72.83 -44.3 61.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.485 -175.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -85.25 61.71 7.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.24 0.543 . . . . 0.0 110.509 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.876 177.297 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm . . . . . 0 N--CA 1.482 1.173 0 CA-C-O 120.733 0.301 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.24 -169.98 12.4 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 173.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . 94.0 mt -60.44 124.88 21.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 117.604 0.702 . . . . 0.0 109.864 174.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 0.9 OUTLIER -106.23 167.82 9.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.366 -0.379 . . . . 0.0 109.997 -177.183 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.507 ' HB3' HD12 ' A' ' 53' ' ' ILE . 19.7 m95 -78.84 66.88 4.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.767 0.794 . . . . 0.0 109.61 176.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.593 HG22 ' HB2' ' A' ' 4' ' ' LYS . 11.2 t -169.71 -28.85 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.101 -177.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' A' ' 10' ' ' GLU . 14.2 m-20 -81.24 45.49 0.85 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.943 173.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -55.24 -38.11 68.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.442 ' HG3' HG21 ' A' ' 60' ' ' VAL . 9.5 ttm180 -76.44 -35.58 58.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.145 0.498 . . . . 0.0 109.964 -178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' HB2' ' HB3' ' A' ' 7' ' ' ASP . 5.2 mm-40 -67.35 -36.75 82.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.379 178.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.418 HG21 HG13 ' A' ' 36' ' ' ILE . 84.1 mt -71.39 -37.08 63.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.029 175.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -54.62 -51.57 51.38 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.777 175.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -56.61 -40.18 74.89 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.576 0.227 . . . . 0.0 110.904 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.55 -48.83 78.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.972 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -72.4 -39.26 68.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.678 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -63.5 -36.72 84.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.212 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -78.39 -46.64 19.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.488 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -31.98 64.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.335 -177.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -130.42 68.78 81.74 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.987 -178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.75 -18.01 19.75 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.275 1.984 . . . . 0.0 111.816 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -88.61 -2.83 58.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.969 -178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HG ' ' CH2' ' A' ' 35' ' ' TRP . 3.3 mm? -94.82 129.9 41.6 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.3 m-20 -84.92 114.02 53.27 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.277 178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.48 ' HG2' HD23 ' A' ' 62' ' ' LEU . 17.8 Cg_endo -59.97 -17.58 45.29 Favored 'Trans proline' 0 CA--C 1.527 0.157 0 C-N-CA 122.811 2.341 . . . . 0.0 112.21 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -65.56 -48.22 73.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.158 177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.7 p -87.85 -23.2 24.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.909 -175.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 23' ' ' ASP . 93.4 t -62.89 117.52 3.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 28' ' ' ARG . 24.1 mtt180 -87.97 160.61 17.83 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.619 -178.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -58.65 -39.54 80.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.885 0.311 . . . . 0.0 111.125 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.9 p -61.67 -44.21 97.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.098 0.475 . . . . 0.0 111.597 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -72.41 -35.98 68.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.186 -177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 19.8 ttp -65.89 -38.6 89.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.514 175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.624 ' HA ' HG22 ' A' ' 36' ' ' ILE . 53.0 t-80 -63.64 -35.38 80.36 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.587 178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.94 -53.09 60.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.284 0.564 . . . . 0.0 110.668 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.44 ' CH2' ' HG ' ' A' ' 22' ' ' LEU . 15.4 m0 -68.31 -50.41 53.72 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.139 -177.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.624 HG22 ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -65.49 -34.51 70.9 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.65 -175.119 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 t -78.4 -16.88 57.15 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.008 -0.433 . . . . 0.0 110.166 -178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.69 -17.45 31.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.299 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 74.7 mt -58.19 128.24 36.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.775 -179.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -81.74 -15.45 54.32 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.847 177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -79.34 -18.71 51.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 109.182 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.537 ' HA ' ' HB2' ' A' ' 3' ' ' LEU . 36.0 t80 -87.74 129.0 35.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.18 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -160.65 108.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.025 176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.712 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 19.1 t70 -163.11 -84.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.831 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -147.22 113.52 4.15 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -75.13 1.65 7.56 Favored 'Trans proline' 0 CA--C 1.529 0.267 0 C-N-CA 122.976 2.451 . . . . 0.0 113.654 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -110.06 -36.15 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.836 0.309 . . . . 0.0 111.836 -176.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.44 34.91 0.53 Allowed 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.455 ' HB3' ' CZ2' ' A' ' 5' ' ' TRP . 2.1 p -80.14 64.16 4.88 Favored 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.54 ' O ' ' HB ' ' A' ' 53' ' ' ILE . 77.4 m-20 -48.89 150.98 1.32 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.036 -0.983 . . . . 0.0 111.978 177.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -41.38 92.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.985 -176.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -63.68 -33.34 75.41 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.025 0.441 . . . . 0.0 110.583 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.54 ' HB ' ' O ' ' A' ' 50' ' ' ASN . 21.7 mm -61.55 -54.39 35.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.073 174.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.01 -35.71 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.43 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 36.5 tt0 -61.64 -42.99 99.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.19 78.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.214 0.53 . . . . 0.0 110.909 179.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.93 -33.66 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.299 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 58' ' ' LEU . 1.8 tm? -74.15 -39.6 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.758 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 55' ' ' GLU . 93.4 mt -60.13 -45.82 91.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.684 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.442 HG21 ' HG3' ' A' ' 9' ' ' ARG . 11.7 p -65.57 -35.45 75.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.365 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 4.0 t90 -64.15 -44.21 92.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.48 HD23 ' HG2' ' A' ' 24' ' ' PRO . 86.8 mt -56.6 -39.54 73.74 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.104 0.478 . . . . 0.0 110.968 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.41 -43.53 55.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.745 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 20.2 mt-10 -77.0 -31.94 56.84 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.96 -0.296 . . . . 0.0 111.693 -176.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.0 10.78 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.334 -178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.59 178.661 . . . . . . . . 0 0 . 1 stop_ save_